SCHEMBL9434633

SCHEMBL9434633

CC1=C(C(=O)O)C(c2cccc(Cl)c2)C(c2ccccn2)=C(C)N1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.59

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
SCHEMBL9434080 0.91 CACNA1B (0.48) CACNA1B
SCHEMBL9433666 0.89 CACNA1B (0.50) CACNA1B
SCHEMBL9433631 0.88 HSD17B10 (0.58) CACNA1B
SCHEMBL9434388 0.88 CACNA1B (0.46) CACNA1B
SCHEMBL9434101 0.88 CACNA1B (0.46) CACNA1B
SCHEMBL9434410 0.87 CACNA1B (0.45) CACNA1B
SCHEMBL9433819 0.87 CACNA1B (0.52) CACNA1B
SCHEMBL9434036 0.87 CACNA1B (0.52) CACNA1B
SCHEMBL9433379 0.85 KDM4E (0.46) CACNA1B
SCHEMBL9434076 0.84 CACNA1F (0.46) 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-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed