SCHEMBL3940445

SCHEMBL3940445

Cc1cc(C)cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.84
ALDH1A1 P00352 3/20 0.42
ALPL P05186 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.40
TNF P01375 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3932908 0.94 FAAH (0.83) FAAHALDH1A1ALPLKDM4EHTT
SCHEMBL3941343 0.94 FAAH (0.86) FAAHALDH1A1ALPLKDM4EHTT
SCHEMBL3941135 0.92 FAAH (1.00) FAAHALDH1A1HTTLMNAMAPK1
SCHEMBL3932491 0.90 FAAH (0.83) FAAHALDH1A1HTTLMNAMAPK1
SCHEMBL3930701 0.90 FAAH (0.86) FAAHALDH1A1ALPLKDM4EHTT
SCHEMBL3932480 0.90 FAAH (0.83) FAAHALDH1A1ALPLHTTLMNA
SCHEMBL3942978 0.90 FAAH (0.86) FAAHALDH1A1HTTLMNAMAPK1
SCHEMBL3935918 0.89 FAAH (0.76) FAAHALDH1A1ALPLKDM4EHTT
SCHEMBL3942437 0.89 FAAH (0.88) FAAHALDH1A1KDM4EHTTLMNA
SCHEMBL3933839 0.88 FAAH (0.86) FAAHALDH1A1ALPLKDM4EHTT

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