SCHEMBL3940702

SCHEMBL3940702

O=S(=O)(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.70
TRPV1 Q8NER1 3/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALPL P05186 1/20 0.36
ABL1 P00519 1/20 0.36
KIT P10721 1/20 0.36
BCR P11274 1/20 0.36
DDR1 Q08345 1/20 0.36
DDR2 Q16832 1/20 0.36
GPR142 Q7Z601 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
SCHEMBL3931347 0.94 FAAH (0.69) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3939496 0.89 FAAH (0.78) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3933874 0.88 FAAH (0.75) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3933728 0.88 FAAH (0.79) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3933574 0.87 FAAH (0.70) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3930967 0.87 FAAH (0.72) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3931969 0.86 FAAH (0.79) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3935806 0.85 FAAH (0.78) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3932773 0.85 FAAH (0.70) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3934937 0.85 FAAH (0.77) 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