SCHEMBL4012448

SCHEMBL4012448

O=C(NCc1ccccc1F)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.57
PTGDR2 Q9Y5Y4 3/20 0.41
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 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
SCHEMBL4011606 0.90 FAAH (0.67) FAAHPTGDR2NPC1KDM4ESMN1; SMN2
SCHEMBL4013550 0.89 FAAH (0.61) FAAHPTGDR2NPC1KDM4ESMN1; SMN2
SCHEMBL4013486 0.85 FAAH (0.60) FAAHNPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4015735 0.85 FAAH (0.61) FAAHNPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4010011 0.84 FAAH (0.59) FAAHNPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4013961 0.83 FAAH (0.58) FAAHNPC1MEN1KMT2ANAMPT
SCHEMBL4012253 0.82 FAAH (0.68) FAAHNPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL3935486 0.82 FAAH (0.77) FAAH
SCHEMBL4015901 0.79 FAAH (0.67) FAAHNPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4020374 0.78 FAAH (0.54) FAAHNPC1KDM4ESMN1; SMN2HSD17B10

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