SCHEMBL7272283

SCHEMBL7272283

CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.57
CACNA1F O60840 4/20 0.56
CACNA1D Q01668 4/20 0.56
CACNA1S Q13698 4/20 0.56
CACNA1C Q13936 4/20 0.56
CACNA1B Q00975 8/20 0.54
HIF1A Q16665 3/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL7266057 0.90 CACNA1B (0.54) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7275680 0.89 CACNA1F (0.57) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7272395 0.87 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7275780 0.85 CACNA1F (0.67) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11368784 0.84 CACNA1C (0.62) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7267128 0.84 CACNA1B (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL10465368 0.84 CACNA1B (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7272439 0.84 CACNA1B (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7272004 0.83 CACNA1B (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7266062 0.83 CACNA1F (0.49) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed