SCHEMBL7394841

SCHEMBL7394841

CCOC(=O)CC1CCc2cc(C(=O)Nc3ccc(/C=N/N4CCSCC4)cc3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
MCHR1 Q99705 11/20 0.41
DGAT1 O75907 1/20 0.38

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
SCHEMBL7394843 1.00 ITGB3 (0.42) ITGB3ITGA2BMCHR1DGAT1
SCHEMBL7386940 0.97 ITGB3 (0.43) ITGB3ITGA2BMCHR1
SCHEMBL7386944 0.97 ITGB3 (0.43) ITGB3ITGA2BMCHR1
SCHEMBL7388125 0.95 ITGB3 (0.47) ITGB3ITGA2BMCHR1
SCHEMBL7388121 0.95 ITGB3 (0.47) ITGB3ITGA2BMCHR1
SCHEMBL7390233 0.92 ITGB3 (0.49) ITGB3ITGA2BMCHR1
SCHEMBL7390232 0.92 ITGB3 (0.49) ITGB3ITGA2BMCHR1
SCHEMBL7394652 0.92 NPC1 (0.46) ITGB3ITGA2BMCHR1
SCHEMBL7394650 0.92 NPC1 (0.46) ITGB3ITGA2BMCHR1
SCHEMBL7431155 0.92 ITGB3 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed