SCHEMBL4716833

SCHEMBL4716833

O=C(O)CC1CN(C(=O)CCCCCCNc2ccccn2)CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.56
ITGAV P06756 15/20 0.56
ITGA2B P08514 8/20 0.56
ITGB5 P18084 4/20 0.56
ITGB1 P05556 2/20 0.53
HTR2C P28335 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL4716846 0.91 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4720020 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718116 0.89 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718124 0.84 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718667 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718120 0.82 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4715705 0.81 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762284 0.78 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762157 0.78 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760017 0.77 ITGB3 (0.54) 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 4 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
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