SCHEMBL4714967

SCHEMBL4714967

O=C(O)CC1CCN(CC(=O)NCCNc2ccccn2)Cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.52
ITGAV P06756 14/20 0.52
ITGA2B P08514 9/20 0.52
ITGB5 P18084 5/20 0.52
ITGB1 P05556 2/20 0.47
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL4761200 0.95 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4791386 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761828 0.81 DPP4 (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4715705 0.80 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761797 0.80 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760017 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718120 0.79 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762284 0.79 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14221981 0.78 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762157 0.77 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 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