SCHEMBL7656486

SCHEMBL7656486

CC1=C(C(=O)NCC=Cc2ccccc2)C(c2cccc(Cl)c2)C(C(=O)OC(C)c2ccccc2)=C(C)N1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.74
PDE1C Q14123 2/20 0.47
PDE2A O00408 1/20 0.47
PDE5A O76074 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE7A Q13946 1/20 0.47
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL7656475 1.00 CACNA1B (0.74) CACNA1BPDE1CPDE2APDE5ACYP2C9
SCHEMBL7656478 1.00 CACNA1B (0.74) CACNA1BPDE1CPDE2APDE5ACYP2C9
SCHEMBL7527521 0.87 CACNA1B (0.72) CACNA1BPDE4D
SCHEMBL7527518 0.87 CACNA1B (0.72) CACNA1BPDE4D
SCHEMBL7659984 0.86 CACNA1B (1.00) CACNA1B
SCHEMBL7659989 0.86 CACNA1B (1.00) CACNA1B
SCHEMBL7662973 0.85 CACNA1B (0.81) CACNA1BPDE4D
SCHEMBL7660929 0.82 CACNA1B (0.73) CACNA1BPDE4D
SCHEMBL7660932 0.82 CACNA1B (0.73) CACNA1BPDE4D
SCHEMBL7662276 0.79 CACNA1B (0.85) CACNA1B

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