SCHEMBL8883552

SCHEMBL8883552

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 9/20 0.65
CACNA1D Q01668 9/20 0.65
CACNA1S Q13698 9/20 0.65
CACNA1C Q13936 9/20 0.65
ADORA3 P0DMS8 1/20 0.65
CACNA1B Q00975 1/20 0.63
PDE1C Q14123 1/20 0.62
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 4/20 0.60
CYP1A2 P05177 4/20 0.60
CYP3A4 P08684 4/20 0.60
CYP2C9 P11712 4/20 0.60
CYP2C19 P33261 4/20 0.60
KMT2A Q03164 4/20 0.60
HIF1A Q16665 3/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 3/20 0.60
CYP2D6 P10635 2/20 0.60
TSHR P16473 2/20 0.60

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
SCHEMBL30296731 1.00 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3032197 0.95 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3940339 0.95 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9374064 0.94 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9374052 0.94 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9805027 0.94 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9805019 0.94 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Oxalic Acid SCHEMBL9725491 0.92 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL15464038 0.89 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL15463931 0.89 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US claimed
CN-115925616-A Green synthesis method of lercanidipine hydrochloride 安徽宏业药业有限公司 2023-04-07 CN disclosed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US disclosed
US-4988717-A Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4849433-A The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 US disclosed
US-4510310-A 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed