SCHEMBL2493736

SCHEMBL2493736

Cc1ccc(C(CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)CCCN5)ccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.70
ITGAV P06756 20/20 0.70
ITGB5 P18084 3/20 0.68

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
SCHEMBL860597 0.89 ITGB3 (0.89) ITGB3ITGAVITGB5
SCHEMBL2491160 0.82 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL2490010 0.81 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL2490009 0.81 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL2491273 0.81 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL852378 0.81 ITGB3 (0.75) ITGB3ITGAVITGB5
SCHEMBL2492095 0.81 ITGB3 (0.86) ITGB3ITGAVITGB5
SCHEMBL29207535 0.80 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL2488336 0.80 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL29207492 0.80 ITGB3 (0.51) ITGB3ITGAVITGB5

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
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP claimed