SCHEMBL874059

SCHEMBL874059

CCNc1cc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)ccc1C(=O)N(CC)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
CHRNA7 P36544 2/20 0.40
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAPT P10636 4/20 0.34
TRPV1 Q8NER1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
AKT1 P31749 1/20 0.33
APP P05067 1/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
HPGD P15428 1/20 0.33

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) NAMPTCHRNA7MAPTTRPV1L3MBTL1
SCHEMBL873658 0.84 NAMPT (0.39) NAMPTCHRNA7MAPTTRPV1L3MBTL1
SCHEMBL874058 0.84 NAMPT (0.42) NAMPTCHRNA7MKNK2DRD2DRD3
SCHEMBL874516 0.84 NAMPT (0.39) NAMPTCHRNA7MAPTTRPV1L3MBTL1
SCHEMBL873821 0.83 NAMPT (0.39) NAMPTCHRNA7MAPTTRPV1AKT1
SCHEMBL875501 0.82 CHRNA7 (0.40) NAMPTCHRNA7MAPTTRPV1KDM4E
SCHEMBL874536 0.82 NAMPT (0.45) NAMPTCHRNA7MAPTRAB9AALDH1A1
SCHEMBL874339 0.82 MKNK1 (0.39) NAMPTCHRNA7MKNK1MKNK2MAPT
SCHEMBL874016 0.81 NAMPT (0.37) NAMPTCHRNA7MAPTDRD2DRD3
SCHEMBL877181 0.80 NAMPT (0.40) NAMPTCHRNA7MAPTTRPV1DRD2

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