SCHEMBL7349976

SCHEMBL7349976

CC#C[C@H](CC(=O)O)NC(=O)CN1CCCC(CCc2ccncc2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.65
ITGA2B P08514 7/20 0.65
ITGAV P06756 13/20 0.49

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
SCHEMBL7371956 1.00 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7369548 0.91 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7369544 0.91 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7349338 0.91 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7371068 0.91 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7340214 0.90 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7348663 0.90 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL8830082 0.87 ITGB3 (0.63) ITGB3ITGA2BITGAV
Phenylacetylene SCHEMBL7339488 0.85 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7342108 0.82 ITGB3 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed