SCHEMBL4012396

SCHEMBL4012396

Cn1cnc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.73
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
HDAC1 Q13547 1/20 0.37
SLC6A9 P48067 1/20 0.37
EPHX2 P34913 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL4017126 0.89 FAAH (0.72) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3936835 0.87 FAAH (0.80) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL4008248 0.86 FAAH (0.73) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3935918 0.86 FAAH (0.76) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3941343 0.85 FAAH (0.86) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3941135 0.85 FAAH (1.00) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3940445 0.84 FAAH (0.84) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3935806 0.84 FAAH (0.78) FAAHLMNATSHRALDH1A1MAPK1
SCHEMBL3942954 0.84 FAAH (0.75) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3932629 0.84 FAAH (0.75) FAAHLMNAALDH1A1MAPK1HTT

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed