SCHEMBL875445

SCHEMBL875445

CC(C)Cn1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)cc1C(=O)NCCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.46
KIT P10721 1/20 0.45
ATR Q13535 3/20 0.41
JAK2 O60674 4/20 0.41
HDAC1 Q13547 1/20 0.41
CHRNA7 P36544 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR4 Q13639 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
JAK3 P52333 1/20 0.39

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
SCHEMBL874907 0.91 NAMPT (0.47) NAMPTKITATRJAK2HDAC1
SCHEMBL874894 0.88 NAMPT (0.46) NAMPTKITATRJAK2HDAC1
SCHEMBL875943 0.88 NAMPT (0.48) NAMPTKITATRJAK2HDAC1
SCHEMBL874909 0.86 CHRNA7 (0.47) NAMPTKITATRJAK2HDAC1
SCHEMBL875016 0.84 NAMPT (0.41) NAMPTKITATRJAK2HDAC1
SCHEMBL882909 0.80 NAMPT (0.49) NAMPTKITJAK2HDAC1CHRNA7
SCHEMBL875099 0.79 NAMPT (0.53) NAMPTCHRNA7
SCHEMBL875403 0.78 NAMPT (0.53) NAMPTKITATRHDAC1CHRM1
SCHEMBL3055571 0.77 NAMPT (0.49) NAMPTKITATRHDAC1CHRNA7
SCHEMBL875705 0.77 NAMPT (0.47) NAMPTHDAC1

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-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed