SCHEMBL3942587

SCHEMBL3942587

CC(C)Oc1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.78
MKNK1 Q9BUB5 3/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PTGDR Q13258 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 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
SCHEMBL3933531 0.92 FAAH (0.78) FAAHMKNK1RAB9AKMT2ATRPV1
SCHEMBL3941303 0.91 FAAH (0.82) FAAHMKNK1
SCHEMBL3932447 0.89 FAAH (0.82) FAAHMKNK1KMT2ATRPV1ALDH1A1
SCHEMBL3931396 0.89 FAAH (0.85) FAAHMKNK1RAB9AKMT2AALDH1A1
SCHEMBL3943232 0.89 FAAH (0.78) FAAHMKNK1KMT2ALMNA
SCHEMBL3942417 0.89 FAAH (0.78) FAAHMKNK1
SCHEMBL3930701 0.88 FAAH (0.86) FAAHMKNK1KMT2ATRPV1ALDH1A1
SCHEMBL3941343 0.88 FAAH (0.86) FAAHKMT2AALDH1A1LMNAMAPK1
SCHEMBL3942978 0.88 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941135 0.88 FAAH (1.00) FAAHKMT2AALDH1A1LMNAMAPK1

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