SCHEMBL7299162

SCHEMBL7299162

CN(C(=O)c1ccc(NC(=N)N)cc1)c1ccc2c(c1)CC(CC(=O)O)CC2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.61
ITGA2B P08514 14/20 0.61
DGAT1 O75907 1/20 0.46
MCHR1 Q99705 5/20 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
SCHEMBL7309674 0.94 ITGB3 (0.61) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7306183 0.90 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7304811 0.86 ITGB3 (0.58) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7297297 0.86 ITGB3 (0.55) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7304039 0.84 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7306072 0.84 ITGB3 (0.77) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7305813 0.83 ITGB3 (0.54) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7300021 0.83 ITGB3 (0.86) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7307260 0.78 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7311321 0.78 ITGB3 (0.50) ITGB3ITGA2B

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