SCHEMBL7305449

SCHEMBL7305449

N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(=O)O)CC3)cc1

nearest known ligand 0.92

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.92
ITGA2B P08514 12/20 0.92
PLAU P00749 3/20 0.58
TMPRSS2 O15393 4/20 0.54

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
Hydrochloric Acid SCHEMBL7320907 0.99 ITGB3 (0.90) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7304577 0.94 ITGB3 (0.80) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7307693 0.93 ITGB3 (0.79) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7300601 0.89 ITGB3 (0.73) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7301277 0.87 ITGB3 (0.70) ITGB3ITGA2BPLAU
SCHEMBL7307122 0.87 ITGB3 (0.70) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7304738 0.86 ITGB3 (0.69) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7300868 0.86 ITGB3 (0.69) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7397281 0.85 ITGB3 (0.68) ITGB3ITGA2BPLAUTMPRSS2
Hydrochloric Acid SCHEMBL7311164 0.85 ITGB3 (0.68) ITGB3ITGA2BPLAUTMPRSS2

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 6 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 claimed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US claimed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP claimed
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