SCHEMBL9434205

SCHEMBL9434205

CC1=C(C(=O)O)C(c2ccccc2OCC=Cc2ccccc2)C(c2ccccn2)=C(C)N1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 18/20 0.52

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
SCHEMBL9434185 1.00 CACNA1B (0.52) CACNA1B
SCHEMBL9434311 0.85 CACNA1B (0.57) CACNA1B
SCHEMBL9434298 0.85 CACNA1B (0.57) CACNA1B
SCHEMBL9434190 0.84 CACNA1B (0.59) CACNA1B
SCHEMBL9433779 0.83 POLB (0.47)
SCHEMBL9433749 0.83 KDM4E (0.47)
SCHEMBL9434104 0.83 CACNA1B (0.60) CACNA1B
SCHEMBL9434072 0.83 CACNA1B (0.60) CACNA1B
SCHEMBL9433540 0.78 KDM4E (0.45) CACNA1B
SCHEMBL9433568 0.77 KDM4E (0.44) 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