SCHEMBL7434896

SCHEMBL7434896

CCOC(=O)C1=C(C)NC(CCC(O)c2ccccc2)=C(C(=O)OCC)C1c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.62
ADORA3 P0DMS8 2/20 0.49
ABCC1 P33527 1/20 0.48
CACNA1F O60840 3/20 0.48
CACNA1D Q01668 3/20 0.48
CACNA1S Q13698 3/20 0.48
CACNA1C Q13936 3/20 0.48

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
SCHEMBL7428216 0.96 CACNA1B (0.58) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL10614840 0.89 ABCC1 (0.63) CACNA1BADORA3ABCC1CACNA1FCACNA1D
SCHEMBL7429597 0.89 CACNA1B (0.58) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7438147 0.87 CACNA1B (0.58) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7433647 0.87 ADORA3 (0.47) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7424120 0.87 CACNA1B (0.57) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7431234 0.87 CACNA1B (0.57) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7428978 0.85 CACNA1B (0.56) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7428763 0.84 CACNA1B (0.55) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7435874 0.84 ADORA3 (0.54) CACNA1BADORA3CACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272693-A2 New aralkyl-1,4-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-06-29 EP claimed
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
EP-0272693-A2 New aralkyl-1,4-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-06-29 EP disclosed