SCHEMBL4015735

SCHEMBL4015735

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.61
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 2/20 0.45
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
NAMPT P43490 1/20 0.43
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 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
SCHEMBL4013550 0.93 FAAH (0.61) FAAHKMT2ATDP1MAPK1NPC1
SCHEMBL4010011 0.92 FAAH (0.59) FAAHKMT2ATDP1MAPK1NPC1
SCHEMBL4013486 0.92 FAAH (0.60) FAAHKMT2ATDP1MAPK1NPC1
SCHEMBL4013961 0.90 FAAH (0.58) FAAHKMT2AMAPK1NPC1MEN1
SCHEMBL4011606 0.89 FAAH (0.67) FAAHNPC1KDM4ETP53RAB9A
SCHEMBL4012448 0.85 FAAH (0.57) FAAHKMT2ANPC1MEN1NAMPT
SCHEMBL3935112 0.83 FAAH (0.87) FAAHKMT2ANPC1MEN1TP53
SCHEMBL4012253 0.82 FAAH (0.68) FAAHNPC1KDM4ETP53RAB9A
SCHEMBL3931969 0.80 FAAH (0.79) FAAHMAPK1
SCHEMBL4015901 0.79 FAAH (0.67) FAAHMAPK1NPC1KDM4ETP53

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