SCHEMBL4763205

SCHEMBL4763205

O=C(O)CC1CCN(C(=O)NCCCCNc2ccccn2)Cc2cc(O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.47
ITGAV P06756 15/20 0.47
ITGA2B P08514 9/20 0.47
ITGB5 P18084 4/20 0.47
ITGB1 P05556 2/20 0.46
NAMPT P43490 5/20 0.44

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
SCHEMBL4760017 0.90 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762284 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14222587 0.89 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761797 0.89 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4791386 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4714544 0.82 NAMPT (0.47) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718078 0.81 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760969 0.81 NAMPT (0.48) ITGB3ITGAVITGA2BITGB5NAMPT
SCHEMBL4717998 0.80 NAMPT (0.43) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760965 0.79 NAMPT (0.45) ITGB3ITGAVITGA2BITGB5ITGB1

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
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed