SCHEMBL9809478

SCHEMBL9809478

CCOC(=O)NC(CCC1=C(C(=O)OCC)C(c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.57
CACNA1D Q01668 1/20 0.57
CACNA1S Q13698 1/20 0.57
CACNA1C Q13936 1/20 0.57

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
SCHEMBL9809456 0.88 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9809562 0.88 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9809525 0.87 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7436390 0.84 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9809485 0.82 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9809467 0.82 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7428763 0.80 CACNA1B (0.55) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10614366 0.80 CACNA1C (0.56) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7434494 0.78 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7427306 0.78 HIF1A (0.67) CACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075324-A ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-12-24 US disclosed