SCHEMBL874025

SCHEMBL874025

CCNc1nc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)ccc1C(=O)NCC(C)(C)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
CHRNA7 P36544 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL874686 0.88 CYP3A4 (0.42) NAMPTCHRNA7DRD2DRD3CYP3A4
SCHEMBL874082 0.84 MAPT (0.38) NAMPTCHRNA7DRD2DRD3KDM4E
SCHEMBL875385 0.84 MAPT (0.40) NAMPTCHRNA7KDM4EMAPTHPGD
SCHEMBL875479 0.83 NAMPT (0.40) NAMPTCHRNA7DRD2DRD3KDM4E
SCHEMBL874210 0.83 MAPT (0.40) NAMPTCHRNA7KDM4EMAPTHPGD
SCHEMBL873657 0.83 CYP3A4 (0.41) NAMPTCHRNA7DRD2DRD3CYP3A4
SCHEMBL874570 0.83 MOK (0.43) CHRNA7DRD2DRD3KDM4EMAPT
SCHEMBL874837 0.82 KMT2A (0.37) NAMPTCHRNA7DRD2DRD3KDM4E
SCHEMBL874151 0.81 CYP3A4 (0.40) NAMPTCHRNA7DRD2DRD3KDM4E
SCHEMBL874083 0.79 KDM4E (0.38) NAMPTCHRNA7KDM4EMAPTHPGD

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