SCHEMBL3934554

SCHEMBL3934554

O=S(=O)(c1cc(Br)c(Br)s1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.72
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MKNK1 Q9BUB5 2/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 1/20 0.35
MMP8 P22894 2/20 0.35
MMP3 P08254 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL3937438 0.89 FAAH (0.73) FAAHLMNAPOLBMAPTALDH1A1
SCHEMBL3931080 0.88 FAAH (0.75) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3932389 0.87 FAAH (0.72) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3938565 0.86 FAAH (0.77) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3931485 0.86 FAAH (0.73) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3933627 0.86 FAAH (0.73) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3934237 0.85 FAAH (0.76) FAAHALDH1A1MAPK1MKNK1TSHR
SCHEMBL3933839 0.84 FAAH (0.86) FAAHLMNAMAPTALDH1A1MAPK1
SCHEMBL3941135 0.84 FAAH (1.00) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3943163 0.84 FAAH (0.68) FAAHLMNAALDH1A1MAPK1HTT

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