SCHEMBL5785293

SCHEMBL5785293

CCOC(=O)COC1CCN(C(=O)[C@H](Cc2ccc(O)cc2)N2C=C3C=CC(C(=N)NO)C(=O)C3C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
OPRD1 P41143 1/20 0.32

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
SCHEMBL5784915 0.89 ITGB3 (0.51) ITGB3ITGA2BOPRD1
SCHEMBL5788606 0.86 ITGB3 (0.48) ITGB3ITGA2BOPRD1
SCHEMBL5782934 0.77 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL2009031 0.72 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL5780901 0.71 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL5785133 0.70 GSK3A (0.36)
SCHEMBL2009677 0.70 ITGB3 (0.67) ITGB3ITGA2BOPRD1
SCHEMBL2011501 0.68 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL5785627 0.68 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL5785165 0.66 HPGD (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed