SCHEMBL15530776

SCHEMBL15530776

CC(=O)N[C@@H]1CCN([S+]([O-])c2ccc(NC(=O)NCc3cccnc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.54
POLB P06746 1/20 0.51
CYP2C9 P11712 2/20 0.51

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 0.82 NAMPT (0.66) NAMPTPOLBCYP2C9
SCHEMBL163456 0.82 NAMPT (0.75) NAMPTCYP2C9
SCHEMBL12503625 0.82 NAMPT (0.75) NAMPTCYP2C9
SCHEMBL163455 0.82 NAMPT (0.75) NAMPTCYP2C9
SCHEMBL15530163 0.81 NAMPT (0.58) NAMPTPOLBCYP2C9
SCHEMBL164793 0.80 NAMPT (0.80) NAMPTCYP2C9
SCHEMBL15530664 0.79 NAMPT (0.72) NAMPTCYP2C9
SCHEMBL15530551 0.77 NAMPT (0.74) NAMPT
SCHEMBL10290830 0.77 POLB (0.71) NAMPTPOLBCYP2C9
SCHEMBL15531121 0.75 NAMPT (0.70) NAMPTPOLB

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