SCHEMBL7308658

SCHEMBL7308658

CCON=Cc1ccc(NC(=O)c2ccc3c(c2)CC(CC(=O)OCC)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.47
ITGA2B P08514 7/20 0.47
MCHR1 Q99705 11/20 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
SCHEMBL7308655 1.00 ITGB3 (0.47) ITGB3ITGA2BMCHR1
SCHEMBL7298312 0.95 ITGB3 (0.54) ITGB3ITGA2BMCHR1
SCHEMBL7298306 0.95 ITGB3 (0.54) ITGB3ITGA2BMCHR1
SCHEMBL7307214 0.89 ITGB3 (0.46) ITGB3ITGA2BMCHR1
SCHEMBL7307220 0.89 ITGB3 (0.46) ITGB3ITGA2BMCHR1
SCHEMBL7434115 0.85 ITGB3 (0.44) ITGB3ITGA2BMCHR1
SCHEMBL7434113 0.85 ITGB3 (0.44) ITGB3ITGA2BMCHR1
SCHEMBL7394156 0.85 NPC1 (0.46) ITGB3ITGA2BMCHR1
SCHEMBL7394158 0.85 NPC1 (0.46) ITGB3ITGA2BMCHR1
SCHEMBL7308974 0.85 ITGB3 (0.53) ITGB3ITGA2BMCHR1

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-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed