SCHEMBL3935112

SCHEMBL3935112

Clc1ccc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.87
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
IGF1R P08069 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 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
SCHEMBL3936220 0.93 FAAH (1.00) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3933423 0.93 FAAH (0.87) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3935920 0.92 FAAH (0.86) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3941489 0.92 FAAH (0.83) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3935343 0.91 FAAH (0.89) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3933752 0.91 FAAH (0.89) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3941505 0.90 FAAH (0.80) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3943621 0.89 FAAH (0.79) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3939145 0.89 FAAH (0.81) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3941123 0.88 FAAH (0.86) FAAHMEN1NPC1RAB9AKMT2A

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