SCHEMBL4716846

SCHEMBL4716846

O=C(O)CC1CN(C(=O)CNCCCCNc2ccccn2)CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.51
ITGAV P06756 13/20 0.51
ITGA2B P08514 7/20 0.51
ITGB5 P18084 4/20 0.51
ITGB1 P05556 2/20 0.51
DPP4 P27487 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4716833 0.91 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718116 0.87 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762157 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718124 0.84 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760436 0.84 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4720020 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4715705 0.81 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761828 0.80 DPP4 (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718120 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718667 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 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