SCHEMBL7307930

SCHEMBL7307930

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.50
ITGA2B P08514 12/20 0.50
F2 P00734 9/20 0.36
ALOX5 P09917 1/20 0.35
MTNR1A P48039 1/20 0.34
PLAU P00749 1/20 0.34
F10 P00742 7/20 0.33
PRSS1 P07477 7/20 0.33
PRSS2 P07478 7/20 0.33
PRSS3 P35030 7/20 0.33

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 0.93 ITGB3 (0.52) ITGB3ITGA2BF2ALOX5MTNR1A
SCHEMBL7306922 0.90 ITGB3 (0.49) ITGB3ITGA2BF2ALOX5MTNR1A
SCHEMBL7299889 0.88 ITGB3 (0.52) ITGB3ITGA2BF2ALOX5PLAU
SCHEMBL7298548 0.88 ITGB3 (0.52) ITGB3ITGA2BF2ALOX5MTNR1A
SCHEMBL7306404 0.86 ITGB3 (0.66) ITGB3ITGA2BALOX5PLAU
SCHEMBL7304655 0.83 ITGB3 (0.73) ITGB3ITGA2BPLAU
SCHEMBL7297127 0.81 ITGB3 (0.66) ITGB3ITGA2BF2ALOX5PLAU
SCHEMBL7388902 0.79 ITGB3 (0.56) ITGB3ITGA2BMTNR1A
SCHEMBL7309097 0.79 ITGB3 (0.47) ITGB3ITGA2BPLAU
SCHEMBL7387130 0.78 ITGB3 (0.46) ITGB3ITGA2BMTNR1AF10

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