SCHEMBL7396343

SCHEMBL7396343

CCCCCCCCOC(=O)CC1CCc2cc(NC(=O)c3ccc(/C=N/N4CCOCC4)cc3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
MCHR1 Q99705 11/20 0.42
NPC1 O15118 1/20 0.40

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
SCHEMBL7394604 1.00 ITGB3 (0.48) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7396346 1.00 ITGB3 (0.48) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7394602 1.00 ITGB3 (0.48) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7396810 0.97 ITGB3 (0.51) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7398523 0.97 ITGB3 (0.51) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7388258 0.97 ITGB3 (0.51) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7398525 0.97 ITGB3 (0.51) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7388256 0.97 ITGB3 (0.51) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7396808 0.97 ITGB3 (0.51) ITGB3ITGA2BMCHR1NPC1
SCHEMBL7386023 0.97 ITGB3 (0.49) ITGB3ITGA2BMCHR1NPC1

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