SCHEMBL6690634

SCHEMBL6690634

CC(c1ccccc1)N1Cc2cc(C(=O)N3CCC(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.58
ITGA2B P08514 7/20 0.58
ITGAV P06756 9/20 0.54
GPR119 Q8TDV5 5/20 0.43
CRBN Q96SW2 1/20 0.39

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
SCHEMBL6674125 0.89 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6958161 0.86 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL6676238 0.86 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL6958164 0.86 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL6690645 0.84 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL7544147 0.81 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL7079514 0.80 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL6675548 0.80 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL8525426 0.78 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7916977 0.76 ITGB3 (0.74) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed