SCHEMBL7306072

SCHEMBL7306072

N=C(N)Nc1ccc(NC(=O)c2ccc3c(c2)CC(CC(=O)O)CC3)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.77
ITGA2B P08514 14/20 0.77
DGAT1 O75907 1/20 0.51
MCHR1 Q99705 3/20 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
SCHEMBL7300021 0.95 ITGB3 (0.86) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7298855 0.94 ITGB3 (0.88) ITGB3ITGA2BDGAT1
SCHEMBL7303074 0.87 ITGB3 (0.67) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7298489 0.87 ITGB3 (1.00) ITGB3ITGA2BMCHR1
SCHEMBL7297755 0.87 ITGB3 (0.59) ITGB3ITGA2BMCHR1
Hydrochloric Acid SCHEMBL7309818 0.86 ITGB3 (0.98) ITGB3ITGA2BMCHR1
SCHEMBL7309674 0.86 ITGB3 (0.61) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7305013 0.86 ITGB3 (0.58) ITGB3ITGA2BMCHR1
SCHEMBL7299649 0.84 ITGB3 (0.56) ITGB3ITGA2BMCHR1
SCHEMBL7299162 0.84 ITGB3 (0.61) ITGB3ITGA2BDGAT1MCHR1

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