SCHEMBL3938565

SCHEMBL3938565

O=S(=O)(c1ccccc1Br)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.77
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GBA1 P04062 1/20 0.39
EPHX2 P34913 1/20 0.38
IGF1R P08069 1/20 0.37
ALPL P05186 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
GRM4 Q14833 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
SCHEMBL3942409 0.89 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3936894 0.89 FAAH (0.79) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3939171 0.89 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3934364 0.89 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3931443 0.89 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3943921 0.88 FAAH (0.75) FAAHALDH1A1GRM4
SCHEMBL3929062 0.88 FAAH (0.75) FAAHLMNAALPL
SCHEMBL3934482 0.88 FAAH (0.75) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941391 0.88 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL4018424 0.88 FAAH (0.75) 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