SCHEMBL7669146

SCHEMBL7669146

CCC(CNC(=O)C1=C(C)NC(C)=C(C(=O)OCCC#N)C1c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.58
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL4496949 0.87 CACNA1B (0.67) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7532827 0.84 CACNA1B (0.69) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4502898 0.84 CACNA1B (0.81) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7667045 0.84 CACNA1B (0.54) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5855031 0.84 CACNA1B (0.63) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7533787 0.83 CACNA1B (0.65) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7660929 0.83 CACNA1B (0.73) CACNA1BCACNA1CADORA3
SCHEMBL7660932 0.83 CACNA1B (0.73) CACNA1BCACNA1CADORA3
SCHEMBL7663100 0.83 CACNA1B (0.54) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7525770 0.82 CACNA1B (0.64) 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-6350762-B1 SELECTIVELY INHIBIT THE ACTION OF N-TYPE CALCIUM CHANNEL; AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
EP-1043314-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-10-11 EP disclosed