SCHEMBL7392196

SCHEMBL7392196

N=C(c1ccc(NC(=O)c2ccc3c(c2)CCC(CC(=O)O)C3)cc1)N1CCOCC1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.83
ITGA2B P08514 13/20 0.83
DGAT1 O75907 1/20 0.49
MCHR1 Q99705 4/20 0.44

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
SCHEMBL7392940 0.96 ITGB3 (0.90) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7393437 0.94 ITGB3 (0.93) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7390482 0.91 ITGB3 (1.00) ITGB3ITGA2BMCHR1
SCHEMBL7390095 0.91 ITGB3 (0.68) ITGB3ITGA2BDGAT1MCHR1
Hydrochloric Acid SCHEMBL7392799 0.90 ITGB3 (0.98) ITGB3ITGA2BMCHR1
SCHEMBL7427900 0.90 ITGB3 (0.67) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7392483 0.89 ITGB3 (0.66) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7396140 0.87 ITGB3 (0.74) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7444354 0.86 ITGB3 (0.73) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7433582 0.86 ITGB3 (0.78) ITGB3ITGA2BDGAT1MCHR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1062266-C Amidine derivative and platelet agglutination inhibitor containing said amidine derivative SCHERING CORP (DE) 2001-02-21 CN disclosed
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
CN-1154962-A Amidine derivative and platelet agglutination inhibitor containing said amidine derivative MITSUI TOATSU CHEMICALS (JP) 1997-07-23 CN disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed