SCHEMBL7404689

SCHEMBL7404689

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(C)c1Cl

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.82
HIF1A Q16665 5/20 0.82
KDM4E B2RXH2 4/20 0.82
MEN1 O00255 4/20 0.82
CYP1A2 P05177 4/20 0.82
CYP3A4 P08684 4/20 0.82
CYP2C19 P33261 4/20 0.82
KMT2A Q03164 4/20 0.82
ADORA3 P0DMS8 4/20 0.82
ABCB11 O95342 3/20 0.82
TBXA2R P21731 3/20 0.82
ADRA1A P35348 3/20 0.82
SLC6A3 Q01959 3/20 0.82
MAPT P10636 3/20 0.82
HSD17B10 Q99714 2/20 0.82
ABCB1 P08183 2/20 0.82
ADRB3 P13945 2/20 0.82
OPRK1 P41145 2/20 0.82
SCN5A Q14524 2/20 0.82
GAA P10253 2/20 0.82

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
(S)-Felodipine SCHEMBL26399 0.90 CYP2C9 (1.00) CYP2C9HIF1AKDM4EMEN1CYP1A2
(S)-Felodipine SCHEMBL29908048 0.90 CYP2C9 (1.00) CYP2C9HIF1AKDM4EMEN1CYP1A2
Felodipine SCHEMBL26398 0.90 CYP2C9 (1.00) CYP2C9HIF1AKDM4EMEN1CYP1A2
Felodipine SCHEMBL920025 0.90 CYP2C9 (1.00) CYP2C9HIF1AKDM4EMEN1CYP1A2
(R)-Felodipine SCHEMBL54486 0.90 CYP2C9 (1.00) CYP2C9HIF1AKDM4EMEN1CYP1A2
(R)-Felodipine SCHEMBL29617765 0.90 CYP2C9 (1.00) CYP2C9HIF1AKDM4EMEN1CYP1A2
Felodipine SCHEMBL13460298 0.90 CYP2C9 (1.00) CYP2C9HIF1AKDM4EMEN1CYP1A2
Felodipine SCHEMBL29049073 0.89 CYP2C9 (0.98) CYP2C9HIF1AKDM4EMEN1CYP1A2
Felodipine SCHEMBL27770064 0.89 CYP2C9 (0.98) CYP2C9HIF1AKDM4EMEN1CYP1A2
Felodipine SCHEMBL27608150 0.89 CYP2C9 (0.98) CYP2C9HIF1AKDM4EMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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