SCHEMBL3939941

SCHEMBL3939941

O=S(=O)(c1cccc(OC(F)F)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.76
ALPL P05186 1/20 0.40
AKR1C3 P42330 1/20 0.38
IGF1R P08069 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
ADRB3 P13945 1/20 0.36
MKNK1 Q9BUB5 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
SCHEMBL3933531 0.92 FAAH (0.78) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3932545 0.90 FAAH (0.79) FAAHALPLAKR1C3IGF1RMKNK1
SCHEMBL3934243 0.87 FAAH (0.83) FAAHAKR1C3ALDH1A1LMNAMAPK1
SCHEMBL3942978 0.87 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941135 0.87 FAAH (1.00) FAAHAKR1C3ALDH1A1LMNAMAPK1
SCHEMBL3933101 0.86 FAAH (0.73) FAAHALPLAKR1C3IGF1RMKNK1
SCHEMBL3944150 0.86 FAAH (0.70) FAAHALPLIGF1R
SCHEMBL3934738 0.85 FAAH (0.72) FAAHALPLAKR1C3ALDH1A1LMNA
SCHEMBL3932908 0.85 FAAH (0.83) FAAHALPLAKR1C3ALDH1A1LMNA
SCHEMBL3939389 0.85 FAAH (0.83) FAAHAKR1C3ALDH1A1LMNAMAPK1

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