SCHEMBL4014452

SCHEMBL4014452

c1ccc2ncc(Nc3nccc4c3CCN(Cc3cccc5[nH]ccc35)C4)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.68
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
GRM4 Q14833 1/20 0.39
KDR P35968 3/20 0.39
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
PEX14 O75381 1/20 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
SCHEMBL4013901 0.90 FAAH (0.70) FAAHHCRTR1HCRTR2GRM4LMNA
SCHEMBL4017197 0.84 FAAH (0.75) FAAHGRM4NPC1RAB9A
SCHEMBL4022293 0.83 FAAH (0.69) FAAHHCRTR1HCRTR2KDRKDM4E
SCHEMBL3933752 0.81 FAAH (0.89) FAAHNPC1RAB9A
SCHEMBL3936220 0.81 FAAH (1.00) FAAHNPC1RAB9A
SCHEMBL3935343 0.80 FAAH (0.89) FAAHKDRNPC1ALDH1A1RAB9A
SCHEMBL3931765 0.80 FAAH (0.79) FAAHGRM4NPC1RAB9A
SCHEMBL4012753 0.80 FAAH (0.75) FAAHGRM4
SCHEMBL3941447 0.80 FAAH (0.70) FAAHKDR
SCHEMBL4013456 0.79 FAAH (0.69) FAAHGRM4KDRKDM4ENPC1

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