SCHEMBL9434642

SCHEMBL9434642

CC1=C(C(=O)O)C(c2cccc(Cl)c2)C(c2cccnc2)=C(C)N1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.52
NPY5R Q15761 1/20 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
SCHEMBL9434087 0.91 CACNA1B (0.43) CACNA1B
SCHEMBL9433669 0.89 ALDH1A1 (0.47) CACNA1BNPY5R
SCHEMBL9433624 0.89 CACNA1B (0.48) CACNA1B
SCHEMBL9434392 0.88 CACNA1B (0.45) CACNA1B
SCHEMBL9434417 0.88 MAPT (0.45) CACNA1BNPY5R
SCHEMBL9433827 0.87 CACNA1B (0.48) CACNA1B
SCHEMBL9434042 0.87 CACNA1B (0.48) CACNA1B
SCHEMBL9434106 0.86 CACNA1B (0.46) CACNA1B
SCHEMBL9433385 0.85 CACNA1F (0.45) CACNA1BNPY5R
SCHEMBL9433980 0.83 CACNA1F (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed