SCHEMBL7312182

SCHEMBL7312182

CC(C)(C)OC(=O)CC1CCc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.54
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
DPP4 P27487 1/20 0.43
NAMPT P43490 4/20 0.43
DRD2 P14416 1/20 0.42
MLYCD O95822 1/20 0.41

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
SCHEMBL7297131 0.89 MCHR1 (0.54) MCHR1ITGB3ITGA2BDPP4NAMPT
SCHEMBL7297755 0.87 ITGB3 (0.59) MCHR1ITGB3ITGA2B
SCHEMBL7308603 0.86 ITGB3 (0.66) MCHR1ITGB3ITGA2B
SCHEMBL7295945 0.84 MCHR1 (0.45) MCHR1ITGB3ITGA2BDRD2
SCHEMBL7306495 0.83 MCHR1 (0.61) MCHR1ITGB3ITGA2B
SCHEMBL7309480 0.82 ITGB3 (0.66) MCHR1ITGB3ITGA2B
SCHEMBL7300538 0.80 ITGB3 (0.75) MCHR1ITGB3ITGA2B
SCHEMBL7300982 0.79 KDM4E (0.55) ITGB3ITGA2BNAMPTDRD2
SCHEMBL7312245 0.78 ITGB3 (0.42) MCHR1ITGB3ITGA2BNAMPT
SCHEMBL7306419 0.78 CYP4F2 (0.45) MCHR1ITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed