SCHEMBL4717310

SCHEMBL4717310

O=C(O)CC1CCN(C(=O)NCCCCNC(=O)NCc2ccccc2)Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.50
NFE2L2 Q16236 3/20 0.50
NAMPT P43490 11/20 0.49
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL4717646 0.87 NAMPT (0.47) NAMPTNPSR1
SCHEMBL4789267 0.85 NAMPT (0.46) NAMPT
SCHEMBL14221973 0.84 NAMPT (0.46) NAMPTMEN1KMT2A
SCHEMBL14222058 0.82 NAMPT (0.46) NAMPT
SCHEMBL4760969 0.82 NAMPT (0.48) NAMPT
SCHEMBL4715869 0.81 NAMPT (0.45) NAMPTCACNA1GCACNA1HCACNA1I
SCHEMBL4760017 0.80 ITGB3 (0.54) NAMPT
SCHEMBL4762284 0.79 ITGB3 (0.53) NAMPT
SCHEMBL4717998 0.79 NAMPT (0.43) NAMPT
SCHEMBL4714544 0.79 NAMPT (0.47) NAMPT

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
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US 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