SCHEMBL4015901

SCHEMBL4015901

O=C(NC1CCCCC1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.67
LCK P06239 1/20 0.51
BTK Q06187 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
ATM Q13315 1/20 0.42
PIP5K1C O60331 1/20 0.39

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
SCHEMBL4012253 0.84 FAAH (0.68) FAAHKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL3933589 0.80 FAAH (1.00) FAAHBTKKDM4EHSD17B10NPC1
SCHEMBL2455001 0.80 LCK (0.51) FAAHLCKBTKPOLBKDM4E
SCHEMBL4013550 0.80 FAAH (0.61) FAAHKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL3932847 0.79 FAAH (0.98) FAAHBTKKDM4EHSD17B10NPC1
SCHEMBL4015735 0.79 FAAH (0.61) FAAHKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL4012448 0.79 FAAH (0.57) FAAHKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL4013486 0.79 FAAH (0.60) FAAHPOLBKDM4EHSD17B10NPC1
SCHEMBL4011606 0.79 FAAH (0.67) FAAHKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL3941492 0.79 FAAH (0.59) FAAHKDM4EHSD17B10NPC1SMN1; SMN2

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 2 patents. 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
WO-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed