SCHEMBL8798159

SCHEMBL8798159

N=C(N)c1ccc(COc2ccc3c(c2)C(=O)N(CCC(=O)O)Cc2nnc(-c4ccccc4)n2-3)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGA2B P08514 20/20 0.56

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
SCHEMBL8798239 0.90 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL8797225 0.89 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8798592 0.89 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL8799813 0.87 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7396096 0.85 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL8797893 0.85 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8798886 0.84 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL8993356 0.84 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL8798139 0.83 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL8798199 0.83 ITGB3 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP claimed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed