SCHEMBL4010314

SCHEMBL4010314

CC(=O)Nc1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.71
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
MAPT P10636 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
OGA O60502 1/20 0.39
EPHX2 P34913 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
SCHEMBL4012119 0.90 FAAH (0.79) FAAHLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3934606 0.89 FAAH (0.80) FAAHLMNASMN1; SMN2ALDH1A1
SCHEMBL4014297 0.88 FAAH (0.76) FAAHLMNASMN1; SMN2
SCHEMBL3941337 0.87 FAAH (0.77) FAAHLMNAMAPT
SCHEMBL4013756 0.86 FAAH (0.81) FAAHLMNASMN1; SMN2MAPT
SCHEMBL3933960 0.85 FAAH (0.86) FAAHLMNASMN1; SMN2ALDH1A1CNR1
SCHEMBL3942978 0.85 FAAH (0.86) FAAHLMNASMN1; SMN2ALDH1A1
SCHEMBL3939612 0.84 FAAH (0.83) FAAHLMNAALDH1A1
SCHEMBL3932480 0.84 FAAH (0.83) FAAHLMNAALDH1A1MAPT
SCHEMBL3930701 0.84 FAAH (0.86) FAAHLMNASMN1; SMN2ALDH1A1

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