SCHEMBL4760965

SCHEMBL4760965

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.45
ITGB3 P05106 8/20 0.44
ITGAV P06756 8/20 0.44
ITGA2B P08514 5/20 0.44
ITGB5 P18084 4/20 0.44
ITGB1 P05556 1/20 0.44
NOS2 P35228 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
SCHEMBL4790911 0.91 NAMPT (0.49) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4761797 0.90 ITGB3 (0.53) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4760017 0.88 ITGB3 (0.54) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4762284 0.88 ITGB3 (0.53) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4714941 0.86 GRIN2B (0.39) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4790307 0.86 ITGB3 (0.44) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4789373 0.86 DPP4 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4791386 0.84 ITGB3 (0.51) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4760967 0.83 NAMPT (0.48) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL14222587 0.82 ITGB3 (0.52) NAMPTITGB3ITGAVITGA2BITGB5

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 2 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 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