SCHEMBL8129408

SCHEMBL8129408

C=S(=O)(C1CCCCC1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.85
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR7 P34969 1/20 0.38
TRPV1 Q8NER1 2/20 0.36
ULK1 O75385 1/20 0.36
LCK P06239 1/20 0.36
BTK Q06187 1/20 0.36
EPHX2 P34913 1/20 0.36
SYK P43405 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
SCHEMBL3933589 0.92 FAAH (1.00) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3932847 0.91 FAAH (0.98) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3936303 0.90 FAAH (1.00) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3938587 0.88 FAAH (0.93) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3932859 0.85 FAAH (0.78) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3932602 0.85 FAAH (0.78) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3934290 0.85 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3936102 0.84 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL4012855 0.84 FAAH (0.79) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3935806 0.83 FAAH (0.78) FAAHALDH1A1LMNAMAPK1HTT

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