SCHEMBL853449

SCHEMBL853449

O=C(O)CC(c1ccccc1)n1ccc2cc(OCCc3ccc4c(n3)OCCN4)ccc21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 20/20 0.69
ITGB5 P18084 3/20 0.69

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
SCHEMBL6360649 0.88 ITGB3 (0.83) ITGB3ITGAVITGB5
SCHEMBL2491273 0.82 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL2493736 0.79 ITGB3 (0.70) ITGB3ITGAVITGB5
SCHEMBL2488336 0.78 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL2490009 0.77 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL861284 0.77 ITGB3 (0.85) ITGB3ITGAVITGB5
SCHEMBL12209661 0.77 ITGB3 (0.90) ITGB3ITGAVITGB5
SCHEMBL861178 0.76 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL854741 0.76 ITGB3 (0.65) ITGB3ITGAVITGB5
SCHEMBL2490010 0.76 ITGB3 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP claimed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP claimed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP claimed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO claimed