SCHEMBL7273069

SCHEMBL7273069

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
CACNA1B Q00975 13/20 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
SCHEMBL7267348 0.88 CACNA1B (0.42) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7267128 0.85 CACNA1B (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7272395 0.84 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7265750 0.84 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7275680 0.81 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7265826 0.81 CACNA1F (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7272004 0.81 CACNA1B (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7266804 0.80 CACNA1F (0.42) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7266062 0.80 CACNA1F (0.49) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7272282 0.80 CACNA1F (0.42) 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