SCHEMBL3936607

SCHEMBL3936607

O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.68
RAB9A P51151 1/20 0.47
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALPL P05186 2/20 0.42
CYP3A4 P08684 1/20 0.39
PPARG P37231 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
SCHEMBL3930939 0.90 FAAH (0.73) FAAHMEN1ALDH1A1TSHRKMT2A
SCHEMBL3939171 0.89 FAAH (0.77) FAAHALDH1A1TSHRALPLPPARG
SCHEMBL3943266 0.88 FAAH (0.82) FAAHCNR1CNR2ALPL
SCHEMBL3943262 0.88 FAAH (0.76) FAAHCNR2ALDH1A1TSHRL3MBTL1
SCHEMBL3936957 0.87 FAAH (0.75) FAAHCNR2ALDH1A1TSHRALPL
SCHEMBL3932159 0.86 FAAH (0.79) FAAHCNR1
SCHEMBL3941389 0.86 FAAH (0.73) FAAHMEN1ALDH1A1KMT2AALPL
SCHEMBL3934462 0.85 FAAH (0.72) FAAHCNR2ALDH1A1ALPL
SCHEMBL3931640 0.85 FAAH (0.73) FAAHCNR2ALDH1A1TSHRALPL
SCHEMBL3942824 0.85 FAAH (0.71) FAAHCNR2ALDH1A1ALPL

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