SCHEMBL4717646

SCHEMBL4717646

O=C(O)CC1CCN(C(=O)NCCCCNC(=O)Nc2ccccc2)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.47
CCR3 P51677 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4717310 0.87 KEAP1 (0.50) NAMPTNPSR1
SCHEMBL4789267 0.86 NAMPT (0.46) NAMPT
SCHEMBL14221973 0.83 NAMPT (0.46) NAMPT
SCHEMBL14222058 0.83 NAMPT (0.46) NAMPT
SCHEMBL4760969 0.82 NAMPT (0.48) NAMPT
SCHEMBL4760017 0.81 ITGB3 (0.54) NAMPT
SCHEMBL4762284 0.80 ITGB3 (0.53) NAMPT
SCHEMBL4714544 0.79 NAMPT (0.47) NAMPT
SCHEMBL4761797 0.79 ITGB3 (0.53) NAMPT
SCHEMBL14222062 0.79 NAMPT (0.48) 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 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