SCHEMBL7301227

SCHEMBL7301227

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.40
ITGA2B P08514 7/20 0.40
LMNA P02545 1/20 0.36
MCHR1 Q99705 8/20 0.35
CYP26B1 Q9NR63 1/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL7306377 0.94 ITGB3 (0.40) ITGB3ITGA2BMCHR1DRD2DRD3
SCHEMBL7301374 0.91 ITGB3 (0.50) ITGB3ITGA2BLMNA
SCHEMBL7307568 0.86 ALDH1A1 (0.38) ITGB3ITGA2BMCHR1DRD2DRD3
SCHEMBL7311321 0.86 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7392906 0.85 ITGB3 (0.55) ITGB3ITGA2BMCHR1
SCHEMBL7392479 0.85 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7301234 0.84 ITGB3 (0.36) ITGB3ITGA2BLMNAMCHR1
SCHEMBL7395082 0.82 ITGB3 (0.51) ITGB3ITGA2BMCHR1
SCHEMBL7398673 0.82 ITGB3 (0.55) ITGB3ITGA2BLMNAMCHR1
SCHEMBL7303273 0.81 MCHR1 (0.45) 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 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