SCHEMBL7390482

SCHEMBL7390482

N=C(c1ccc(C(=O)Nc2ccc3c(c2)CC(CC(=O)O)CC3)cc1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 1.00
ITGA2B P08514 13/20 1.00
MCHR1 Q99705 7/20 0.46

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 SCHEMBL7392799 0.99 ITGB3 (0.98) ITGB3ITGA2BMCHR1
SCHEMBL7393437 0.96 ITGB3 (0.93) ITGB3ITGA2BMCHR1
SCHEMBL7392940 0.94 ITGB3 (0.90) ITGB3ITGA2BMCHR1
SCHEMBL7397330 0.92 ITGB3 (0.84) ITGB3ITGA2BMCHR1
SCHEMBL7392196 0.91 ITGB3 (0.83) ITGB3ITGA2BMCHR1
SCHEMBL7398445 0.91 ITGB3 (0.83) ITGB3ITGA2BMCHR1
SCHEMBL7434612 0.90 ITGB3 (0.81) ITGB3ITGA2BMCHR1
Hydrochloric Acid SCHEMBL7399987 0.90 ITGB3 (0.81) ITGB3ITGA2BMCHR1
SCHEMBL7395314 0.89 ITGB3 (0.80) ITGB3ITGA2BMCHR1
SCHEMBL7433582 0.88 ITGB3 (0.78) ITGB3ITGA2BMCHR1

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
JP-9124581-A None JP disclosed
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
JP-H09124581-A SUBSTITUTED AMIDINE DERIVATIVE AND INHIBITOR OF BLOOD PLATELET AGGREGATION CONTAINING THE SAME MITSUI TOATSU CHEM INC 1997-05-13 JP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed