SCHEMBL14221981

SCHEMBL14221981

O=C(O)CC1CC(=O)N(CC(=O)NCCCNc2ccccn2)Cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.57
ITGAV P06756 19/20 0.57
ITGA2B P08514 12/20 0.57
ITGB5 P18084 9/20 0.57
ITGB1 P05556 2/20 0.53
LMNA P02545 1/20 0.37

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
SCHEMBL4761200 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6308297 0.79 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4715705 0.78 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4714967 0.78 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761797 0.78 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718120 0.77 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6302598 0.77 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760017 0.76 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762284 0.75 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL5026370 0.75 ITGB3 (0.63) 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