SCHEMBL7397441

SCHEMBL7397441

C#CCN=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CCC(CC(=O)OCCOC)C3)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.71
ITGA2B P08514 7/20 0.71
MCHR1 Q99705 13/20 0.47

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
SCHEMBL7399994 0.97 ITGB3 (0.76) ITGB3ITGA2BMCHR1
SCHEMBL7396764 0.93 ITGB3 (0.72) ITGB3ITGA2BMCHR1
SCHEMBL7392685 0.92 ITGB3 (0.69) ITGB3ITGA2BMCHR1
SCHEMBL7396777 0.92 ITGB3 (0.73) ITGB3ITGA2BMCHR1
SCHEMBL7395905 0.91 ITGB3 (0.67) ITGB3ITGA2BMCHR1
SCHEMBL7393881 0.89 ITGB3 (0.77) ITGB3ITGA2BMCHR1
SCHEMBL7394011 0.89 ITGB3 (0.82) ITGB3ITGA2BMCHR1
SCHEMBL7395653 0.89 ITGB3 (0.73) ITGB3ITGA2BMCHR1
SCHEMBL7388346 0.89 ITGB3 (0.78) ITGB3ITGA2BMCHR1
SCHEMBL7393015 0.88 ITGB3 (0.71) 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