SCHEMBL873722

SCHEMBL873722

CCN(C(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1NC1CC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
CHRNA7 P36544 2/20 0.38
RAB9A P51151 3/20 0.37
SLC6A9 P48067 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
NAMPT P43490 1/20 0.34
SYK P43405 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 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
SCHEMBL874281 0.91 RAB9A (0.40) RXFP1CHRNA7RAB9ASLC6A9SLC6A5
SCHEMBL875501 0.87 CHRNA7 (0.40) CHRNA7TRPV1NAMPTSYKSMN1; SMN2
SCHEMBL882629 0.84 CHRNA7 (0.42) CHRNA7RAB9ATRPV1NAMPTSYK
SCHEMBL873877 0.83 CHRNA7 (0.42) CHRNA7RAB9ATRPV1NAMPTSYK
SCHEMBL873721 0.82 BCHE (0.39) CHRNA7RAB9ATRPV1NAMPTSYK
SCHEMBL874291 0.80 CHRNA7 (0.39) RXFP1CHRNA7RAB9ATRPV1NAMPT
SCHEMBL873866 0.80 CHRNA7 (0.42) RXFP1CHRNA7RAB9ANAMPTSMN1; SMN2
SCHEMBL875500 0.80 ATR (0.41) CHRNA7NAMPTSYK
SCHEMBL874483 0.79 RAB9A (0.40) RXFP1CHRNA7RAB9ASLC6A9TRPV1
SCHEMBL874083 0.78 KDM4E (0.38) RXFP1CHRNA7RAB9ATRPV1NAMPT

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