SCHEMBL4714486

SCHEMBL4714486

O=C(O)CC1CN(C(=O)NCCCc2ccc3cccnc3n2)CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 5/20 0.41
ITGB3 P05106 7/20 0.38
ITGAV P06756 7/20 0.38
ITGA2B P08514 5/20 0.38
ITGB5 P18084 5/20 0.38
NAMPT P43490 3/20 0.37
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
ITGB1 P05556 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
OXGR1 Q96P68 1/20 0.34

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
SCHEMBL4720078 0.82 ITGAV (0.57) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718116 0.78 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5NAMPT
SCHEMBL14222776 0.77 GRIN1 (0.49) NAMPTPRMT5WDR77
SCHEMBL4718124 0.77 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5NAMPT
SCHEMBL4714889 0.77 ITGAV (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4715035 0.76 NAMPT (0.43) NAMPTPRMT5WDR77
SCHEMBL4715180 0.74 ITGAV (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL13719339 0.71 SUCNR1 (0.58) SUCNR1OXGR1
SCHEMBL4714688 0.70 NAMPT (0.41) ITGB3ITGAVITGA2BITGB5NAMPT
SCHEMBL4789561 0.70 ITGAV (0.57) 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