SCHEMBL7308788

SCHEMBL7308788

N=C(N)c1ccc(OCc2ccc3c(c2)CC(CC(=O)O)CC3)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.81
ITGA2B P08514 11/20 0.81
RXRB P28702 1/20 0.51
F2 P00734 4/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
TMPRSS6 Q8IU80 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 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
SCHEMBL7300961 0.94 ITGB3 (0.92) ITGB3ITGA2BRXRBF2PRSS1
SCHEMBL7305927 0.87 ITGB3 (0.63) ITGB3ITGA2BRXRBF2PRSS1
SCHEMBL7300901 0.87 ITGB3 (0.61) ITGB3ITGA2BRXRB
SCHEMBL7307011 0.87 ITGB3 (0.62) ITGB3ITGA2BRXRB
SCHEMBL7307064 0.83 ITGB3 (0.74) ITGB3ITGA2BRXRBF2PRSS1
SCHEMBL7305023 0.81 ITGB3 (0.71) ITGB3ITGA2BRXRB
SCHEMBL7303640 0.81 ITGB3 (0.70) ITGB3ITGA2BRXRB
SCHEMBL7305419 0.79 ITGB3 (0.74) ITGB3ITGA2BF2PRSS1
SCHEMBL7307229 0.78 ITGB3 (0.60) ITGB3ITGA2BRXRB
SCHEMBL7298489 0.77 ITGB3 (1.00) 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 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