SCHEMBL7305927

SCHEMBL7305927

CCOC(=O)CC1CCc2ccc(COc3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.63
ITGA2B P08514 7/20 0.63
F2 P00734 5/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
RXRB P28702 1/20 0.44
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL7308788 0.87 ITGB3 (0.81) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7307064 0.85 ITGB3 (0.74) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7300468 0.85 RAB9A (0.44) ITGB3ITGA2BRXRBFFAR1
SCHEMBL7307271 0.82 ITGB3 (0.56) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7304075 0.81 FFAR1 (0.41) ITGB3ITGA2BRXRBFFAR1
SCHEMBL7304069 0.81 FFAR1 (0.41) ITGB3ITGA2BRXRBFFAR1
SCHEMBL7300961 0.81 ITGB3 (0.92) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7308742 0.80 ITGB3 (0.66) ITGB3ITGA2BF2PRSS1
SCHEMBL7299155 0.80 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7311321 0.79 ITGB3 (0.50) ITGB3ITGA2BF2

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