SCHEMBL4022293

SCHEMBL4022293

c1cc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.69
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 2/20 0.36

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
SCHEMBL4013329 0.87 FAAH (0.65) FAAHMAPTLMNAKDM4ENPC1
SCHEMBL4014452 0.83 FAAH (0.68) FAAHLMNAHCRTR1HCRTR2KDM4E
SCHEMBL3936220 0.82 FAAH (1.00) FAAHMAPTNPC1RAB9A
SCHEMBL3933752 0.82 FAAH (0.89) FAAHNPC1RAB9A
SCHEMBL3935343 0.81 FAAH (0.89) FAAHNPC1ALDH1A1RAB9AKDR
SCHEMBL3931765 0.81 FAAH (0.79) FAAHNPC1RAB9A
SCHEMBL2488473 0.80 FAAH (0.43) FAAHMAPTLMNAHCRTR1HCRTR2
SCHEMBL3941447 0.80 FAAH (0.70) FAAHKDR
SCHEMBL4013456 0.80 FAAH (0.69) FAAHLMNAKDM4ENPC1ALDH1A1
SCHEMBL3933423 0.80 FAAH (0.87) FAAHNPC1ALDH1A1RAB9A

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