SCHEMBL7309034

SCHEMBL7309034

N=C(N)c1ccc(COc2ccc3c(c2)CC(CC(=O)O)CO3)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.69
ITGA2B P08514 14/20 0.69
KLK5 Q9Y337 1/20 0.48
F2 P00734 3/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TMPRSS6 Q8IU80 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47

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
SCHEMBL7307240 0.88 ITGB3 (0.54) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL7299294 0.88 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7302761 0.87 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7300961 0.82 ITGB3 (0.92) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7309708 0.78 ITGB3 (0.88) ITGB3ITGA2B
SCHEMBL7299540 0.78 ITGB3 (1.00) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7315319 0.77 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7306404 0.76 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7297127 0.76 ITGB3 (0.66) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7308788 0.76 ITGB3 (0.81) ITGB3ITGA2BKLK5F2PRSS1

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