SCHEMBL9401595

SCHEMBL9401595

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cn3ccnc3)cc2)C1c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.65

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
SCHEMBL9401589 1.00 CACNA1B (0.65) CACNA1B
SCHEMBL9401594 0.93 CACNA1B (0.59) CACNA1B
SCHEMBL9401588 0.93 CACNA1B (0.59) CACNA1B
SCHEMBL9401519 0.92 CACNA1B (0.54) CACNA1B
SCHEMBL9401525 0.92 CACNA1B (0.54) CACNA1B
SCHEMBL9401704 0.92 CACNA1B (0.53) CACNA1B
SCHEMBL9401428 0.92 CACNA1B (0.61) CACNA1B
SCHEMBL9401698 0.92 CACNA1B (0.53) CACNA1B
SCHEMBL9401732 0.92 CACNA1B (0.61) CACNA1B
SCHEMBL9401422 0.92 CACNA1B (0.61) 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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed