SCHEMBL7307285

SCHEMBL7307285

CCC(C)OC(=O)CC1CCc2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.71
ITGA2B P08514 10/20 0.71
MCHR1 Q99705 9/20 0.47
PLAU P00749 1/20 0.45

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
SCHEMBL7302139 0.94 ITGB3 (0.63) ITGB3ITGA2BPLAU
SCHEMBL7306030 0.93 ITGB3 (0.76) ITGB3ITGA2BMCHR1PLAU
SCHEMBL7302307 0.89 ITGB3 (0.79) ITGB3ITGA2BMCHR1PLAU
SCHEMBL7299155 0.88 ITGB3 (0.75) ITGB3ITGA2BMCHR1PLAU
Hydrochloric Acid SCHEMBL7315353 0.87 ITGB3 (0.74) ITGB3ITGA2BMCHR1PLAU
SCHEMBL7295966 0.87 ITGB3 (0.67) ITGB3ITGA2BPLAU
SCHEMBL7303456 0.86 ITGB3 (0.72) ITGB3ITGA2BMCHR1PLAU
SCHEMBL7300538 0.86 ITGB3 (0.75) ITGB3ITGA2BMCHR1PLAU
SCHEMBL7299164 0.85 ITGB3 (0.70) ITGB3ITGA2BMCHR1PLAU
SCHEMBL7301862 0.84 ITGB3 (0.72) ITGB3ITGA2BPLAU

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