SCHEMBL4761200

SCHEMBL4761200

O=C(O)CC1CCN(CC(=O)NCCCNc2ccccn2)Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.53
ITGAV P06756 16/20 0.53
ITGA2B P08514 9/20 0.53
ITGB5 P18084 7/20 0.53
ITGB1 P05556 2/20 0.50
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL4714967 0.95 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761797 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4715705 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760017 0.84 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14221981 0.83 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718120 0.83 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762284 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760436 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761955 0.80 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4791386 0.80 ITGB3 (0.51) 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 5 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
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US 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
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