SCHEMBL7433602

SCHEMBL7433602

CCOC(=O)C1=C(C)NC(CF)=C(C(=O)OCC)C1c1cccc2nonc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.59
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
CYP2C19 P33261 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CACNA1C Q13936 2/20 0.59
NR1I2 O75469 2/20 0.59
ABCB11 O95342 2/20 0.59
NR3C1 P04150 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
CYP2D6 P10635 2/20 0.59
TBXA2R P21731 2/20 0.59
OPRK1 P41145 2/20 0.59
SLC6A3 Q01959 2/20 0.59
PDE4D Q08499 2/20 0.59
SCN5A Q14524 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MLNR O43193 1/20 0.59
CYP2C8 P10632 1/20 0.59

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
SCHEMBL10912838 0.92 CYP2C9 (0.59) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
Darodipine SCHEMBL44696 0.91 CYP2C9 (0.69) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL9502937 0.87 CYP2C9 (0.65) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7343428 0.87 CYP2C9 (0.77) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL10913182 0.85 CYP2C9 (0.57) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL10913015 0.84 CYP2C9 (0.58) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL10913481 0.84 CACNA1C (0.58) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7349734 0.84 CACNA1C (0.67) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7342966 0.84 CACNA1C (0.62) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL10823927 0.84 CACNA1C (0.62) CYP2C9CYP1A2CYP3A4CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US claimed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP claimed
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP disclosed