SCHEMBL14212733

SCHEMBL14212733

CNc1cccc(CCOc2ccc3c(c2)CN(CCF)C(=O)[C@H](CC(=O)O)C3)n1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.81
ITGAV P06756 17/20 0.81
ITGA2B P08514 5/20 0.81
ITGB6 P18564 1/20 0.51
ITGB1 P05556 7/20 0.49
ITGA5 P08648 6/20 0.49
ITGB5 P18084 4/20 0.49
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 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
SCHEMBL6418885 0.91 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL6418879 0.91 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL244675 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL29899937 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL538331 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL29571589 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL328724 0.89 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL6419002 0.86 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL6418750 0.86 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL12010936 0.85 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB6ITGB1

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