SCHEMBL877181

SCHEMBL877181

CCN(C(=O)c1cc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nn1C(C)C)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
CHRNA7 P36544 2/20 0.38
BTK Q06187 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PRLHR P49683 2/20 0.32
CSF1R P07333 2/20 0.32
DGAT1 O75907 1/20 0.32
JAK2 O60674 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MOK Q9UQ07 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 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
SCHEMBL874516 0.83 NAMPT (0.39) NAMPTCHRNA7KDM4EMAPTHPGD
SCHEMBL877180 0.83 NAMPT (0.43) NAMPTCHRNA7JAK2HDAC6CYP3A4
SCHEMBL875479 0.81 NAMPT (0.40) NAMPTCHRNA7KDM4EMAPTHPGD
SCHEMBL874536 0.80 NAMPT (0.45) NAMPTCHRNA7KDM4EMAPTHPGD
SCHEMBL876612 0.80 CHRNA7 (0.46) NAMPTCHRNA7HDAC6
SCHEMBL874059 0.80 NAMPT (0.41) NAMPTCHRNA7KDM4EMAPTHPGD
SCHEMBL873821 0.80 NAMPT (0.39) NAMPTCHRNA7BTKKDM4EMAPT
SCHEMBL873658 0.80 NAMPT (0.39) NAMPTCHRNA7KDM4EMAPTHPGD
SCHEMBL875501 0.79 CHRNA7 (0.40) NAMPTCHRNA7BTKKDM4EMAPT
SCHEMBL873630 0.79 NAMPT (0.41) 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