SCHEMBL875501

SCHEMBL875501

CCN(C(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1NC1CC1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.40
NAMPT P43490 1/20 0.38
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SYK P43405 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
FLT3 P36888 3/20 0.33
BTK Q06187 1/20 0.33
ALOX5 P09917 1/20 0.33
MERTK Q12866 3/20 0.32
TYRO3 Q06418 2/20 0.32
GAS6 Q14393 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL875479 0.91 NAMPT (0.40) CHRNA7NAMPTMAPTKDM4EHPGD
SCHEMBL874516 0.90 NAMPT (0.39) CHRNA7NAMPTMAPTKDM4EHPGD
SCHEMBL873821 0.89 NAMPT (0.39) CHRNA7NAMPTMAPTKDM4EHPGD
SCHEMBL873658 0.89 NAMPT (0.39) CHRNA7NAMPTMAPTKDM4EHPGD
SCHEMBL873722 0.87 RXFP1 (0.38) CHRNA7NAMPTMAPTKDM4EHPGD
SCHEMBL875500 0.83 ATR (0.41) CHRNA7NAMPTSYKCYP3A4CYP2D6
SCHEMBL882629 0.82 CHRNA7 (0.42) CHRNA7NAMPTMAPTKDM4EHPGD
SCHEMBL874059 0.82 NAMPT (0.41) CHRNA7NAMPTMAPTKDM4EHPGD
SCHEMBL873877 0.82 CHRNA7 (0.42) CHRNA7NAMPTMAPTKDM4EHPGD
SCHEMBL874016 0.81 NAMPT (0.37) CHRNA7NAMPTMAPTSMN1; SMN2BTK

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