SCHEMBL7411027

SCHEMBL7411027

COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)C1c1cccc(Cl)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.73
KDM4E B2RXH2 4/20 0.73
ABCB11 O95342 4/20 0.73
CYP1A2 P05177 3/20 0.73
CYP3A4 P08684 3/20 0.73
CYP2C19 P33261 3/20 0.73
KMT2A Q03164 3/20 0.73
HIF1A Q16665 3/20 0.73
HSD17B10 Q99714 3/20 0.73
TSHR P16473 3/20 0.73
ALDH1A1 P00352 3/20 0.73
HPGD P15428 3/20 0.73
MAPT P10636 3/20 0.73
ADORA3 P0DMS8 3/20 0.73
SCN5A Q14524 3/20 0.73
LMNA P02545 3/20 0.73
TBXA2R P21731 3/20 0.73
ADRA1A P35348 3/20 0.73
SLC6A3 Q01959 3/20 0.73
MEN1 O00255 2/20 0.73

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
SCHEMBL3027068 0.95 CYP2C9 (0.65) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL29755877 0.91 KDM4E (0.85) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL3067467 0.91 KDM4E (0.85) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL11451313 0.91 CYP2C9 (0.70) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL8510425 0.91 CYP2C9 (0.60) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL7428857 0.90 CYP2C9 (0.64) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL8222573 0.90 CYP2C9 (0.59) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL7413458 0.89 CYP2C9 (0.71) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL820019 0.86 KDM4E (0.78) CYP2C9KDM4EABCB11CYP1A2CYP3A4
SCHEMBL29663663 0.86 KDM4E (0.78) CYP2C9KDM4EABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069989-A1 PROCESS FOR PREPARATION OF CLEVIDIPINE AND ITS INTERMEDIATE CADILA PHARMACEUTICALS LIMITED (IN) 2012-05-31 WO claimed
US-4264611-A HYPOTENSIVE AGENTS AKTIEBOLAGET HASSLE (SE) 1981-04-28 US claimed
EP-0007293-A1 2,6-Dimethyl-4-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid-3-methyl ester-5-ethyl ester having hypotensive properties, process for its preparation and pharmaceutical preparations containing it Aktiebolaget Hässle (SE) 1980-01-23 EP claimed
WO-2012069989-A1 PROCESS FOR PREPARATION OF CLEVIDIPINE AND ITS INTERMEDIATE CADILA PHARMACEUTICALS LIMITED (IN) 2012-05-31 WO disclosed
WO-2012069989-A1 PROCESS FOR PREPARATION OF CLEVIDIPINE AND ITS INTERMEDIATE CADILA PHARMACEUTICALS LIMITED (IN) 2012-05-31 WO disclosed
WO-2012069989-A1 PROCESS FOR PREPARATION OF CLEVIDIPINE AND ITS INTERMEDIATE CADILA PHARMACEUTICALS LIMITED (IN) 2012-05-31 WO disclosed
US-4264611-A HYPOTENSIVE AGENTS AKTIEBOLAGET HASSLE (SE) 1981-04-28 US disclosed
EP-0007293-A1 2,6-Dimethyl-4-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid-3-methyl ester-5-ethyl ester having hypotensive properties, process for its preparation and pharmaceutical preparations containing it Aktiebolaget Hässle (SE) 1980-01-23 EP disclosed