SCHEMBL7267348

SCHEMBL7267348

CC1=C(C(=O)O)C(c2cccc(OC(F)(F)F)c2)C(P(C)C)=C(C)N1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL7273069 0.88 CACNA1F (0.43) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7267128 0.88 CACNA1B (0.43) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7275680 0.84 CACNA1F (0.57) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7272004 0.83 CACNA1B (0.43) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7265905 0.83 CACNA1F (0.50) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7272283 0.82 ADORA3 (0.57) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7272395 0.82 CACNA1F (0.50) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7273557 0.81 CACNA1B (0.42) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7275995 0.81 KDM4E (0.45) CACNA1BCACNA1C
SCHEMBL7267803 0.81 CACNA1B (0.41) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C

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