SCHEMBL874016

SCHEMBL874016

CCNc1nc(-c2ccc(NC(=O)c3cc4cccnc4s3)c(F)c2)ccc1C(=O)N(CC)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
BTK Q06187 3/20 0.35
CHRNA7 P36544 4/20 0.34
KCNH2 Q12809 3/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
F10 P00742 1/20 0.31
CDKL5 O76039 1/20 0.31
MET P08581 1/20 0.31
BCL6 P41182 1/20 0.31
NR4A2 P43354 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL875479 0.89 NAMPT (0.40) NAMPTCHRNA7KCNH2DRD2DRD3
SCHEMBL874015 0.85 DRD2 (0.41) NAMPTBTKCHRNA7KCNH2DRD2
SCHEMBL873658 0.84 NAMPT (0.39) NAMPTCHRNA7KCNH2DRD2DRD3
SCHEMBL874516 0.82 NAMPT (0.39) NAMPTCHRNA7KCNH2RAB9AMAPT
SCHEMBL874059 0.81 NAMPT (0.41) NAMPTCHRNA7DRD2DRD3RAB9A
SCHEMBL873821 0.81 NAMPT (0.39) NAMPTBTKCHRNA7KCNH2RAB9A
SCHEMBL875501 0.81 CHRNA7 (0.40) NAMPTBTKCHRNA7KCNH2MAPT
SCHEMBL874083 0.76 KDM4E (0.38) NAMPTCHRNA7KCNH2RAB9AMAPT
SCHEMBL874686 0.74 CYP3A4 (0.42) NAMPTCHRNA7KCNH2DRD2DRD3
SCHEMBL874571 0.74 MAPT (0.38) CHRNA7RAB9AMAPTNPC1TSHR

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-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed