SCHEMBL874907

SCHEMBL874907

CCCn1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)cc1C(=O)NCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.47
KIT P10721 1/20 0.46
JAK2 O60674 3/20 0.43
ATR Q13535 2/20 0.42
HDAC1 Q13547 1/20 0.42
CHRNA7 P36544 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
MCHR1 Q99705 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR4 Q13639 1/20 0.41
JAK3 P52333 1/20 0.40

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
SCHEMBL875016 0.93 NAMPT (0.41) NAMPTKITJAK2ATRHDAC1
SCHEMBL875445 0.91 NAMPT (0.46) NAMPTKITJAK2ATRHDAC1
SCHEMBL875943 0.90 NAMPT (0.48) NAMPTKITJAK2ATRHDAC1
SCHEMBL874894 0.90 NAMPT (0.46) NAMPTKITJAK2ATRHDAC1
SCHEMBL874909 0.87 CHRNA7 (0.47) NAMPTKITJAK2ATRHDAC1
SCHEMBL875705 0.86 NAMPT (0.47) NAMPTHDAC1
SCHEMBL882909 0.83 NAMPT (0.49) NAMPTKITJAK2HDAC1CHRNA7
SCHEMBL875099 0.81 NAMPT (0.53) NAMPTCHRNA7
SCHEMBL3050002 0.80 NAMPT (0.47) NAMPTKITATRHDAC1CHRNA7
SCHEMBL3054387 0.80 NAMPT (0.47) NAMPTKITATRHDAC1CHRNA7

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