SCHEMBL7299679

SCHEMBL7299679

CCCN(C(=O)c1ccc2c(c1)CC(CC(=O)O)CO2)c1ccc(C(=N)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.59
ITGA2B P08514 15/20 0.59
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
F2 P00734 5/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL7299371 0.95 ITGB3 (0.58) ITGB3ITGA2BALDH1A1MAPTF2
SCHEMBL7301693 0.94 ITGB3 (0.59) ITGB3ITGA2BALDH1A1MAPTF2
SCHEMBL7307503 0.93 ITGB3 (0.61) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7300507 0.89 ITGB3 (0.58) ITGB3ITGA2BALDH1A1MAPTF2
SCHEMBL7297127 0.87 ITGB3 (0.66) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7299972 0.83 ITGB3 (0.58) ITGB3ITGA2BF2
SCHEMBL7306404 0.83 ITGB3 (0.66) ITGB3ITGA2BALOX5
SCHEMBL7302130 0.78 ITGB3 (0.56) ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7301389 0.77 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7299889 0.77 ITGB3 (0.52) ITGB3ITGA2BF2F10PRSS1

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