SCHEMBL7301277

SCHEMBL7301277

NCc1ccc(C(=O)Nc2ccc3c(c2)CN(CC(=O)O)CC3)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.70
ITGA2B P08514 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NOD1 Q9Y239 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TNF P01375 4/20 0.51
NOD2 Q9HC29 4/20 0.51
ABCB1 P08183 3/20 0.51
ABCG2 Q9UNQ0 3/20 0.51
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
PLAU P00749 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
SCHEMBL7305449 0.87 ITGB3 (0.92) ITGB3ITGA2BPLAU
SCHEMBL7307693 0.86 ITGB3 (0.79) ITGB3ITGA2BSMN1; SMN2KDM4ENOD1
Hydrochloric Acid SCHEMBL7320907 0.86 ITGB3 (0.90) ITGB3ITGA2BPLAU
SCHEMBL7397281 0.81 ITGB3 (0.68) ITGB3ITGA2BSMN1; SMN2KDM4ENOD1
SCHEMBL7435004 0.81 ITGB3 (0.67) ITGB3ITGA2BSMN1; SMN2KDM4ENOD1
SCHEMBL7304577 0.80 ITGB3 (0.80) ITGB3ITGA2BSMN1; SMN2KDM4EABCB1
SCHEMBL7307122 0.80 ITGB3 (0.70) ITGB3ITGA2BSMN1; SMN2KDM4ENOD1
SCHEMBL7396039 0.80 ITGB3 (0.64) ITGB3ITGA2BSMN1; SMN2KDM4ENOD1
SCHEMBL7396832 0.80 ITGB3 (0.66) ITGB3ITGA2BSMN1; SMN2KDM4ENOD1
SCHEMBL7392173 0.80 ITGB3 (0.66) ITGB3ITGA2BSMN1; SMN2KDM4ENOD1

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 2 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