SCHEMBL7398673

SCHEMBL7398673

C#CCN=C(N)c1ccc(N(C)C(=O)c2ccc3c(c2)CC(CC(=O)OCC)CC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
ACHE P22303 4/20 0.33
LMNA P02545 1/20 0.32
MCHR1 Q99705 3/20 0.31

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
SCHEMBL7390313 0.86 ITGB3 (0.70) ITGB3ITGA2BMCHR1
SCHEMBL7393860 0.85 ITGB3 (0.57) ITGB3ITGA2BLMNA
SCHEMBL7301374 0.84 ITGB3 (0.50) ITGB3ITGA2BLMNA
SCHEMBL7388346 0.84 ITGB3 (0.78) ITGB3ITGA2BMCHR1
SCHEMBL7393606 0.83 ITGB3 (0.65) ITGB3ITGA2BMCHR1
SCHEMBL7301227 0.82 ITGB3 (0.40) ITGB3ITGA2BLMNAMCHR1
SCHEMBL7396777 0.81 ITGB3 (0.73) ITGB3ITGA2BMCHR1
SCHEMBL7391252 0.80 ITGB3 (0.40) ITGB3ITGA2BLMNA
SCHEMBL7301234 0.80 ITGB3 (0.36) ITGB3ITGA2BLMNAMCHR1
SCHEMBL7311321 0.79 ITGB3 (0.50) ITGB3ITGA2B

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