SCHEMBL14182014

SCHEMBL14182014

CCC1Cc2ccc(OCCc3cccc(NC)n3)cc2CN(CC(F)(F)F)C1=O

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.82
ITGAV P06756 20/20 0.82
ITGA2B P08514 4/20 0.82
ITGB1 P05556 12/20 0.42
ITGA5 P08648 12/20 0.42
ITGB5 P18084 3/20 0.42
ITGB6 P18564 1/20 0.42

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
SCHEMBL14212732 0.91 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL14212735 0.91 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL29899937 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL244675 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL29571589 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL538331 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL14182037 0.90 ITGB3 (0.87) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL14212733 0.80 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6419002 0.79 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6418750 0.79 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB1ITGA5

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-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed