SCHEMBL3942907

SCHEMBL3942907

O=S(=O)(N1CCOCC1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.73
IGF1R P08069 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PIK3CA P42336 5/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3936102 0.92 FAAH (0.77) FAAHIGF1RKDM4ENPC1SMN1; SMN2
SCHEMBL3932859 0.91 FAAH (0.78) FAAHIGF1RKDM4ENPC1SMN1; SMN2
SCHEMBL3932602 0.91 FAAH (0.78) FAAHIGF1RKDM4ENPC1SMN1; SMN2
SCHEMBL4012894 0.86 FAAH (0.69) FAAHIGF1RKDM4ENPC1SMN1; SMN2
SCHEMBL3938587 0.86 FAAH (0.93) FAAHIGF1RKDM4ENPC1SMN1; SMN2
SCHEMBL4012855 0.86 FAAH (0.79) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL3933725 0.85 FAAH (0.70) FAAHIGF1RKDM4ENPC1SMN1; SMN2
SCHEMBL3935806 0.85 FAAH (0.78) FAAHKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL3941135 0.84 FAAH (1.00) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL4011983 0.83 FAAH (0.75) FAAHKDM4ESMN1; SMN2ALDH1A1LMNA

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