SCHEMBL7299889

SCHEMBL7299889

CCOC(=O)CC1COc2ccc(C(=O)N(C)c3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.52
ITGA2B P08514 10/20 0.52
F2 P00734 8/20 0.40
PLAU P00749 1/20 0.39
F10 P00742 6/20 0.37
PRSS1 P07477 4/20 0.37
PRSS2 P07478 4/20 0.37
PRSS3 P35030 4/20 0.37
ALOX5 P09917 1/20 0.36
ROCK2 O75116 1/20 0.35

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
SCHEMBL7306587 0.94 ITGB3 (0.52) ITGB3ITGA2BF2PLAUF10
SCHEMBL7306922 0.91 ITGB3 (0.49) ITGB3ITGA2BF2PLAUALOX5
SCHEMBL7297127 0.88 ITGB3 (0.66) ITGB3ITGA2BF2PLAUF10
SCHEMBL7307930 0.88 ITGB3 (0.50) ITGB3ITGA2BF2PLAUF10
SCHEMBL7386307 0.86 ITGB3 (0.56) ITGB3ITGA2BROCK2
SCHEMBL7393860 0.85 ITGB3 (0.57) ITGB3ITGA2BALOX5ROCK2
SCHEMBL7395947 0.85 ITGB3 (0.46) ITGB3ITGA2BROCK2
SCHEMBL7300485 0.84 ITGB3 (0.67) ITGB3ITGA2BF2PLAUF10
SCHEMBL7298548 0.84 ITGB3 (0.52) ITGB3ITGA2BF2PLAUF10
SCHEMBL7301374 0.83 ITGB3 (0.50) ITGB3ITGA2BF2PLAUF10

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