SCHEMBL7305013

SCHEMBL7305013

CCOC(=O)CC1CCc2ccc(C(=O)Nc3ccc(NC(=N)N)cc3)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.58
ITGA2B P08514 8/20 0.58
MCHR1 Q99705 9/20 0.43

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
SCHEMBL7302786 0.95 ITGB3 (0.65) ITGB3ITGA2BMCHR1
SCHEMBL7308742 0.94 ITGB3 (0.66) ITGB3ITGA2BMCHR1
SCHEMBL7299649 0.93 ITGB3 (0.56) ITGB3ITGA2BMCHR1
SCHEMBL7297755 0.89 ITGB3 (0.59) ITGB3ITGA2BMCHR1
SCHEMBL7299155 0.89 ITGB3 (0.75) ITGB3ITGA2BMCHR1
SCHEMBL7303170 0.88 ITGB3 (0.63) ITGB3ITGA2BMCHR1
Hydrochloric Acid SCHEMBL7315353 0.88 ITGB3 (0.74) ITGB3ITGA2BMCHR1
SCHEMBL7303485 0.87 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7303709 0.86 ITGB3 (0.68) ITGB3ITGA2BMCHR1
SCHEMBL7306072 0.86 ITGB3 (0.77) 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