SCHEMBL4654952

SCHEMBL4654952

COC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@H]1c1cccc([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
SCHEMBL6455316 1.00 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4654954 1.00 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL336400 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110283118-B Preparation method of barnidipine key intermediate 贵州医科大学 2022-05-17 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
JP-2275854-A None JP disclosed
CN-108689904-B Preparation method and application of chiral heterocyclic tertiary alcohol intermediate 轩竹生物科技股份有限公司 2022-06-17 CN disclosed
CN-110283118-B Preparation method of barnidipine key intermediate 贵州医科大学 2022-05-17 CN disclosed
CN-110283118-B Preparation method of barnidipine key intermediate 贵州医科大学 2022-05-17 CN disclosed
CN-108430989-B Process for preparing 1, 4-dihydropyridine-3, 5-dicarboxylate derivatives and intermediates 轩竹生物科技有限公司 2021-10-08 CN disclosed
EP-3168215-B1 PROCESS FOR PREPARATION OF BARNIDIPINE USV PRIVATE LTD (IN) 2020-05-20 EP disclosed
CN-110283118-A Preparation method of barnidipine key intermediate 贵州医科大学 2019-09-27 CN disclosed
EP-3168215-A2 PROCESS FOR PREPARATION OF BARNIDIPINE USV Private Limited (IN) 2017-05-17 EP disclosed
US-5367081-A Vasodilator, antiallergen FUJIREBIO INC. (JP) 1994-11-22 US disclosed
US-5336774-A 1,4-dihydropyridine 3,5 carboxyl compounds ACHIWA KAZUO (JP) 1994-08-09 US disclosed
US-5234821-A Process for preparing 1,4 dihydropyridine compounds ACHIWA KAZUO (JP) 1993-08-10 US disclosed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP disclosed
EP-0474129-A2 1,4-Dihydropyridine derivatives and process for preparing the same Achiwa, Kazuo (JP) 1992-03-11 EP disclosed
JP-H02275854-A OPTICALLY ACTIVE DIHYDROPYRIDINE DERIVATIVE, PRODUCTION AND ITS USE TAKEDA CHEM IND LTD 1990-11-09 JP disclosed
US-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP disclosed
US-4616002-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1986-10-07 US disclosed