SCHEMBL4013550

SCHEMBL4013550

O=C(NCc1ccc(F)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.61
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 2/20 0.46
NAMPT P43490 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL4015735 0.93 FAAH (0.61) FAAHKMT2ANPC1MEN1MAPK1
SCHEMBL4013486 0.93 FAAH (0.60) FAAHKMT2ANPC1MEN1MAPK1
SCHEMBL4013961 0.90 FAAH (0.58) FAAHKMT2ANPC1MEN1MAPK1
SCHEMBL4010011 0.90 FAAH (0.59) FAAHKMT2ANPC1MEN1MAPK1
SCHEMBL4012448 0.89 FAAH (0.57) FAAHKMT2ANPC1MEN1NAMPT
SCHEMBL4011606 0.86 FAAH (0.67) FAAHNPC1KDM4ETP53RAB9A
SCHEMBL4012253 0.83 FAAH (0.68) FAAHNPC1KDM4ETP53RAB9A
SCHEMBL3941332 0.82 FAAH (0.88) FAAH
SCHEMBL3933423 0.82 FAAH (0.87) FAAHKMT2ANPC1MEN1TP53
SCHEMBL4015901 0.80 FAAH (0.67) FAAHNPC1MAPK1KDM4ETP53

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