SCHEMBL3941135

SCHEMBL3941135

O=S(=O)(c1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 1.00
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
GPR6 P46095 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.41
ESR2 Q92731 1/20 0.40
SYK P43405 1/20 0.40
CHEK1 O14757 1/20 0.39
FLT3 P36888 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL3936263 0.94 FAAH (0.90) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3942437 0.94 FAAH (0.88) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941392 0.93 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3933960 0.93 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3933839 0.93 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3930701 0.93 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941343 0.93 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941586 0.93 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3942978 0.93 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL4010751 0.92 FAAH (0.85) FAAHAKR1C3AKR1C1

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