SCHEMBL3939612

SCHEMBL3939612

O=S(=O)(c1cccc(Cl)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.83
IGF1R P08069 1/20 0.43
GBA1 P04062 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3932480 0.93 FAAH (0.83) FAAHIGF1RALDH1A1LMNAMAPK1
SCHEMBL3933960 0.91 FAAH (0.86) FAAHGBA1ALDH1A1LMNAMAPK1
SCHEMBL3941135 0.91 FAAH (1.00) FAAHGBA1AKR1C3ALDH1A1LMNA
SCHEMBL3934243 0.90 FAAH (0.83) FAAHAKR1C3ALDH1A1LMNAMAPK1
SCHEMBL3932908 0.90 FAAH (0.83) FAAHAKR1C3ALDH1A1LMNAMAPK1
SCHEMBL3939389 0.90 FAAH (0.83) FAAHGBA1AKR1C3ALDH1A1LMNA
SCHEMBL3934606 0.90 FAAH (0.80) FAAHAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL3942978 0.89 FAAH (0.86) FAAHGBA1ALDH1A1LMNAMAPK1
SCHEMBL3941337 0.89 FAAH (0.77) FAAHLMNAHTTMEN1KMT2A
SCHEMBL3930792 0.88 FAAH (0.80) 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