SCHEMBL4789267

SCHEMBL4789267

CC(C)NC(=O)NCCCCNC(=O)N1CCC(CC(=O)O)c2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.46
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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 0.86 NAMPT (0.47) NAMPT
SCHEMBL4717310 0.85 KEAP1 (0.50) NAMPT
SCHEMBL14222058 0.82 NAMPT (0.46) NAMPTPRMT5WDR77
SCHEMBL4760969 0.81 NAMPT (0.48) NAMPT
SCHEMBL4760017 0.79 ITGB3 (0.54) NAMPT
SCHEMBL4762054 0.79 NAMPT (0.42) NAMPT
SCHEMBL4762284 0.79 ITGB3 (0.53) NAMPT
SCHEMBL4714544 0.78 NAMPT (0.47) NAMPT
SCHEMBL4718078 0.78 ITGB3 (0.43) NAMPT
SCHEMBL4761797 0.77 ITGB3 (0.53) 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 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