SCHEMBL15531121

SCHEMBL15531121

CN1CCCC2(CCCN([S+]([O-])c3ccc(NC(=O)NCc4cccnc4)cc3)C2)C1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.70
POLB P06746 1/20 0.50

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
SCHEMBL15530845 0.85 NAMPT (0.66) NAMPTPOLB
SCHEMBL29635697 0.82 NAMPT (1.00) NAMPT
SCHEMBL162052 0.82 NAMPT (1.00) NAMPT
SCHEMBL15530163 0.80 NAMPT (0.58) NAMPTPOLB
SCHEMBL10290830 0.76 POLB (0.71) NAMPTPOLB
SCHEMBL15530177 0.76 NAMPT (0.71) NAMPT
SCHEMBL15530688 0.76 NAMPT (0.65) NAMPTPOLB
SCHEMBL15530776 0.75 NAMPT (0.54) NAMPTPOLB
SCHEMBL15530536 0.75 NAMPT (0.67) NAMPTPOLB
SCHEMBL20389371 0.75 NAMPT (0.66) 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
WO-2013170191-A1 METHODS OF USING ANTAGONISTS OF NAD BIOSYNTHESIS FROM NICOTINAMIDE GENENTECH, INC. (US) 2013-11-14 WO disclosed