SCHEMBL3932491

SCHEMBL3932491

O=S(=O)(c1cc(F)cc(F)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.83
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
GRM4 Q14833 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL3942437 0.94 FAAH (0.88) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3934243 0.93 FAAH (0.83) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941135 0.91 FAAH (1.00) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3940445 0.90 FAAH (0.84) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3930792 0.90 FAAH (0.80) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3932480 0.89 FAAH (0.83) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3942978 0.89 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3932111 0.88 FAAH (0.75) FAAH
SCHEMBL3938849 0.88 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3933839 0.88 FAAH (0.86) 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