SCHEMBL7306495

SCHEMBL7306495

CCOC(=O)CC1CCc2ccc(NC(=O)c3ccc(C#N)cc3)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.61
ITGB3 P05106 7/20 0.55
ITGA2B P08514 7/20 0.55

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
SCHEMBL7297131 0.94 MCHR1 (0.54) MCHR1ITGB3ITGA2B
SCHEMBL7298689 0.86 ITGB3 (0.58) MCHR1ITGB3ITGA2B
SCHEMBL7299155 0.86 ITGB3 (0.75) MCHR1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7315353 0.85 ITGB3 (0.74) MCHR1ITGB3ITGA2B
SCHEMBL7302786 0.85 ITGB3 (0.65) MCHR1ITGB3ITGA2B
SCHEMBL7297084 0.83 ITGB3 (0.56) MCHR1ITGB3ITGA2B
SCHEMBL7322446 0.83 MCHR1 (0.49) MCHR1ITGB3ITGA2B
SCHEMBL7312182 0.83 MCHR1 (0.54) MCHR1ITGB3ITGA2B
SCHEMBL7389156 0.83 ITGB3 (0.55) MCHR1ITGB3ITGA2B
SCHEMBL7298306 0.83 ITGB3 (0.54) MCHR1ITGB3ITGA2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8231486-A None JP disclosed
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5719145-A FIBRINOGEN ANTAGONIST FOR TREATMENT OF THROMBOSIS, RESTENOSIS AFTER ANGIOPLASTY OR CORONARY RECANALIZATION; WATER SOLUBILITY, ORAL ADMINISTRATION MITSUI TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed
JP-H08231486-A BICYCLIC COMPOUND AND BLOOD PLATELET COAGULATION INHIBITOR CONTAINING THE SAME MITSUI TOATSU CHEM INC 1996-09-10 JP disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed