SCHEMBL4718124

SCHEMBL4718124

O=C(O)CC1CN(C(=O)NCCNc2ccccn2)CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.51
ITGAV P06756 14/20 0.51
ITGA2B P08514 9/20 0.51
ITGB5 P18084 5/20 0.51
ITGB1 P05556 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.40
DPP4 P27487 2/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM6A O15550 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
CHRNA1 P02708 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM5A P29375 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM5C P41229 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL4718116 0.94 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4791386 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4716846 0.84 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4716833 0.84 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14222776 0.81 GRIN1 (0.49) NAMPT
SCHEMBL4715705 0.80 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761797 0.79 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760017 0.79 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718120 0.79 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762284 0.79 ITGB3 (0.53) 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 3 patents. 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 claimed
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US disclosed