SCHEMBL3938587

SCHEMBL3938587

O=S(=O)(C1CC1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.93
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
EGFR P00533 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
IGF1R P08069 1/20 0.39
SYK P43405 1/20 0.39
HTR7 P34969 2/20 0.38
EPHX2 P34913 1/20 0.38
GRM4 Q14833 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR6 P50406 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
SCHEMBL3932847 0.97 FAAH (0.98) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3933589 0.96 FAAH (1.00) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3936303 0.96 FAAH (1.00) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3934290 0.94 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL4012855 0.88 FAAH (0.79) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL8129408 0.88 FAAH (0.85) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3935806 0.87 FAAH (0.78) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3936102 0.86 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941135 0.86 FAAH (1.00) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3942907 0.86 FAAH (0.73) 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