SCHEMBL5262083

SCHEMBL5262083

O=C(c1csc(C2CCN(c3cncc4occc34)CC2)n1)N1CCC(c2nnc3ccccn23)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.34
SCD O00767 2/20 0.34
FAAH O00519 6/20 0.33
SPR P35270 1/20 0.32
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
RBP4 P02753 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR5 P51681 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL5260483 0.79 PIM1 (0.37) FAAHNPC1RAB9A
SCHEMBL5316067 0.77 TRPC3 (0.40) FAAHSPRTRPC3TRPC6RBP4
SCHEMBL16103438 0.60 MAPK14 (0.49) ALDH1A1HTTHSD17B10CCR5NPC1
SCHEMBL1045160 0.59 HTR2C (0.44) FAAHSPRTRPC3TRPC6ALDH1A1
SCHEMBL2188470 0.59 KDM4E (0.51) SPRALDH1A1
SCHEMBL5800122 0.58 HCRTR1 (0.43) FAAHALDH1A1TSHRHTR2C
SCHEMBL5662280 0.58 KDM4E (0.43) ALDH1A1HSD17B10CCR5NPC1
SCHEMBL13419445 0.57 FAAH (0.45) FAAHALDH1A1TSHRNPC1RAB9A
SCHEMBL2186962 0.57 LMNA (0.56) ALDH1A1TSHRHTTNPSR1HSD17B10
SCHEMBL3676189 0.57 CYP3A4 (0.38)

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
EP-1834954-A1 Thiazoles as NF-kB Inhibitors (proteasome inhibitors) 4SC AG (DE) 2007-09-19 EP disclosed