SCHEMBL5368713

SCHEMBL5368713

NC(=O)c1c(C(=O)N(C2CCCCC2)C2CCCCC2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.42
SLC6A2 P23975 8/20 0.42
SLC6A3 Q01959 4/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL17042187 0.90 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3ALDH1A1CYP1A2
SCHEMBL22471663 0.83 WDR5 (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1CYP1A2
Biphenyl SCHEMBL21812299 0.81 KMT2A (0.42) ALDH1A1LMNAHTTKMT2AKDM4E
SCHEMBL28633006 0.79 WDR5 (0.60) SLC6A4SLC6A2SLC6A3ALDH1A1CYP1A2
SCHEMBL29589341 0.77 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL28414939 0.77 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL599946 0.75 WDR5 (0.50) ALDH1A1CYP1A2CYP2C19HSD17B10MAPT
SCHEMBL29486321 0.75 WDR5 (0.50) ALDH1A1CYP1A2CYP2C19HSD17B10MAPT
SCHEMBL9812817 0.75 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL27590889 0.75 WDR5 (0.50) ALDH1A1CYP1A2CYP2C19HSD17B10MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3995600-B2 2007-10-24 JP claimed
JP-2004528443-A 2004-09-16 JP claimed
EP-1385901-A2 MICROPOROUS MATERIALS AND METHODS OF MAKING THE SAME 3M Innovative Properties Company (US) 2004-02-04 EP claimed
US-6632850-B2 Crystallizable propylene- containing polymer, a beta-nucleating agent, and a diluent that is miscible with the polymer at a temperature above the melting temperature of the polymer 3M INNOVATIVE PROPERTIES COMPANY 2003-10-14 US claimed
US-20030036577-A1 Microporous materials and methods of making the same 3M INNOVATIVE PROPERTIES COMPANY 2003-02-20 US claimed
WO-2002081557-A1 MICROPOROUS MATERIALS AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-10-17 WO claimed