SCHEMBL336400

SCHEMBL336400

COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.80
CYP1A2 P05177 4/20 0.80
CYP3A4 P08684 4/20 0.80
CYP2C9 P11712 4/20 0.80
CYP2C19 P33261 4/20 0.80
HIF1A Q16665 3/20 0.80
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
LMNA P02545 3/20 0.80
CYP2D6 P10635 3/20 0.80
TSHR P16473 2/20 0.80
POLB P06746 1/20 0.80
MAPK1 P28482 1/20 0.80
GPR55 Q9Y2T6 1/20 0.80
NFKB1 P19838 1/20 0.80
THPO P40225 1/20 0.80
NR3C2 P08235 1/20 0.78
CACNA1C Q13936 3/20 0.71
ADORA3 P0DMS8 3/20 0.71
CACNA1F O60840 2/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4654952 1.00 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6455316 1.00 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4654954 1.00 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7384519 1.00 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Iodide SCHEMBL8054093 0.99 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6234505 0.99 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4661058 0.99 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10464259 0.99 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10464261 0.99 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4661068 0.99 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 264 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206480-A Purification method of 1, 4-dihydro-2, 6-dimethyl-4- (3-nitrophenyl) pyridine-3, 5-dicarboxylic acid monomethyl ester 河北一品生物医药有限公司 2024-06-18 CN claimed
CN-117720457-A Manidipine hydrochloride process impurity m-nifedipine and preparation method and application thereof 成都大学 2024-03-19 CN claimed
CN-115260087-A Nicardipine hydrochloride impurity and synthesis method and application thereof 济南良福精合医药科技有限公司 2022-11-01 CN claimed
CN-112812053-A Preparation method of benidipine hydrochloride 山东华素制药有限公司 2021-05-18 CN claimed
CN-112679416-A Preparation method of benidipine hydrochloride 济南朗科医药技术有限公司 2021-04-20 CN claimed
EP-3168215-B1 PROCESS FOR PREPARATION OF BARNIDIPINE USV PRIVATE LTD (IN) 2020-05-20 EP claimed
EP-3168215-A2 PROCESS FOR PREPARATION OF BARNIDIPINE USV Private Limited (IN) 2017-05-17 EP claimed
US-9539222-B2 Methods to inhibit intracellular growth of bacteria and to treat bacteria-mediated diseases AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-10 US claimed
US-20150209308-A1 METHODS TO INHIBIT INTRACELLULAR GROWTH OF BACTERIA AND TO TREAT BACTERIA-MEDIATED DISEASES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2015-07-30 US claimed
CN-104744345-A Preparation method of lercanidipine LI LEI 2015-07-01 CN claimed
WO-1998031680-A1 1,4-DIHYDROPYRIDIN DERIVATIVES AND THEIR USE IN THERAPY LABORATOIRE L. LAFON (FR) 1998-07-23 WO claimed
CN-1184468-A A process for the preparation of lercanidipine hydrochloride RECORDATI CHEM PHARM (CH) 1998-06-10 CN claimed
EP-0494816-A1 1,4-Dihydropyridine derivatives, process for their preparation and therapeutical composition containing them LABORATOIRE L. LAFON (FR) 1992-07-15 EP claimed
EP-0202625-B1 PROCESS FOR THE PREPARATION OF 2,6-DIMETHYL-4-(3'-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID 3-BETA-(N-BENZYL-N-METHYLAMINO)-ETHYL ESTER 5-METHYL ESTER AND ITS HYDROCHLORIDE SALT LEK, tovarna farmacevtskih in kemicnih izdelkov, n.sol.o. (SI) 1990-08-01 EP claimed
EP-0176053-B1 1,4-DIHYDROPYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM POLI INDUSTRIA CHIMICA S.p.A. (IT) 1989-01-18 EP claimed
US-4769465-A Process for the preparation of 2-(N-benzyl-N-methylamino)-ethyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and its hydrochloride salt LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1988-09-06 US claimed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP claimed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO claimed
EP-0097821-A2 Dihydropyridines with an antagonistic activity to calcium, process for their preparation, and pharmaceutical compositions containing them Pierrel S.p.A. (IT) 1984-01-11 EP claimed
EP-0094159-A1 Dihydropyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-16 EP claimed