SCHEMBL882909

SCHEMBL882909

CCn1cc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)cc1C(=O)NCCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.49
KIT P10721 1/20 0.47
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
MCHR1 Q99705 1/20 0.44
JAK2 O60674 3/20 0.43
HDAC1 Q13547 1/20 0.43
JAK3 P52333 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR3A P46098 1/20 0.41
CHRNA7 P36544 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
SCHEMBL882751 0.84 NAMPT (0.44) NAMPTCHRM1HTR2AMCHR1JAK2
SCHEMBL874907 0.83 NAMPT (0.47) NAMPTKITCHRM1HTR2AMCHR1
SCHEMBL875403 0.80 NAMPT (0.53) NAMPTKITCHRM1HTR2AMCHR1
SCHEMBL875445 0.80 NAMPT (0.46) NAMPTKITCHRM1HTR2AMCHR1
SCHEMBL875381 0.79 NAMPT (0.47) NAMPTKITCHRM1HTR2AMCHR1
SCHEMBL874643 0.79 CD274 (0.50) JAK2MEN1KMT2A
SCHEMBL874894 0.79 NAMPT (0.46) NAMPTKITCHRM1HTR2AMCHR1
SCHEMBL875943 0.79 NAMPT (0.48) NAMPTKITCHRM1HTR2AMCHR1
SCHEMBL874266 0.79 NAMPT (0.49) NAMPTKITCHRM1HTR2AMCHR1
SCHEMBL874909 0.78 CHRNA7 (0.47) NAMPTKITCHRM1HTR2AMCHR1

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