SCHEMBL7307693

SCHEMBL7307693

N=C(N)Nc1ccc(C(=O)Nc2ccc3c(c2)CN(CC(=O)O)CC3)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.79
ITGA2B P08514 8/20 0.79
TMPRSS2 O15393 6/20 0.53
PLAU P00749 2/20 0.52
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NOD1 Q9Y239 1/20 0.48
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL7307122 0.95 ITGB3 (0.70) ITGB3ITGA2BTMPRSS2PLAUKDM4E
SCHEMBL7305449 0.93 ITGB3 (0.92) ITGB3ITGA2BTMPRSS2PLAU
Hydrochloric Acid SCHEMBL7320907 0.92 ITGB3 (0.90) ITGB3ITGA2BTMPRSS2PLAU
SCHEMBL7304577 0.88 ITGB3 (0.80) ITGB3ITGA2BTMPRSS2PLAUKDM4E
SCHEMBL7297076 0.86 ITGB3 (0.60) ITGB3ITGA2BTMPRSS2PLAUKDM4E
SCHEMBL7301277 0.86 ITGB3 (0.70) ITGB3ITGA2BPLAUKDM4ESMN1; SMN2
SCHEMBL7397281 0.85 ITGB3 (0.68) ITGB3ITGA2BTMPRSS2PLAUKDM4E
SCHEMBL7435004 0.84 ITGB3 (0.67) ITGB3ITGA2BTMPRSS2PLAUKDM4E
SCHEMBL7396832 0.83 ITGB3 (0.66) ITGB3ITGA2BTMPRSS2PLAUKDM4E
SCHEMBL7392173 0.83 ITGB3 (0.66) ITGB3ITGA2BTMPRSS2PLAUKDM4E

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