SCHEMBL4240348

SCHEMBL4240348

COC(=O)CC(c1ccccn1)n1ccc2cc(OCCc3ccc4c(n3)N(C(=O)O)CCC4)ccc21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.64
ITGAV P06756 20/20 0.64
ITGB5 P18084 3/20 0.53

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
SCHEMBL861125 0.91 ITGB3 (0.59) ITGB3ITGAVITGB5
SCHEMBL2490571 0.85 ITGB3 (0.85) ITGB3ITGAVITGB5
SCHEMBL4247556 0.84 ITGB3 (0.60) ITGB3ITGAVITGB5
SCHEMBL2495277 0.82 ITGB3 (0.62) ITGB3ITGAVITGB5
SCHEMBL4243065 0.81 ITGB3 (0.56) ITGB3ITGAVITGB5
SCHEMBL861168 0.80 ITGB3 (0.59) ITGB3ITGAVITGB5
SCHEMBL2490046 0.80 ITGB3 (0.63) ITGB3ITGAVITGB5
SCHEMBL861262 0.80 ITGB3 (0.60) ITGB3ITGAVITGB5
SCHEMBL860861 0.79 ITGB3 (0.57) ITGB3ITGAVITGB5
SCHEMBL2492173 0.78 ITGB3 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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