SCHEMBL4020374

SCHEMBL4020374

O=C(Nc1ccc2c(c1)OCO2)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.54
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NAMPT P43490 1/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPC3 Q13507 1/20 0.42
TRPC6 Q9Y210 1/20 0.42

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 0.82 FAAH (0.68) FAAHSMN1; SMN2NPC1KDM4EHSD17B10
SCHEMBL4015901 0.78 FAAH (0.67) FAAHMAPTPOLBSMN1; SMN2NPC1
SCHEMBL3941492 0.78 FAAH (0.59) FAAHMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL4011606 0.78 FAAH (0.67) FAAHSMN1; SMN2NPC1KDM4EHSD17B10
SCHEMBL4012448 0.78 FAAH (0.57) FAAHSMN1; SMN2NPC1KDM4EHSD17B10
SCHEMBL4013550 0.77 FAAH (0.61) FAAHSMN1; SMN2NPC1KDM4EHSD17B10
SCHEMBL4013486 0.76 FAAH (0.60) FAAHMAPTPOLBSMN1; SMN2NPC1
SCHEMBL4015735 0.76 FAAH (0.61) FAAHSMN1; SMN2NPC1KDM4EHSD17B10
SCHEMBL4010011 0.75 FAAH (0.59) FAAHSMN1; SMN2NPC1KDM4EHSD17B10
SCHEMBL4009176 0.75 FAAH (0.77) FAAHMAPTNPC1RAB9AHTT

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