SCHEMBL5050417

SCHEMBL5050417

Cn1ncc(-c2ccc(F)cc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.42
GRM5 P41594 4/20 0.40
KMO O15229 2/20 0.39
ALPL P05186 2/20 0.38
PDE10A Q9Y233 1/20 0.38
BACE1 P56817 1/20 0.37
DPP4 P27487 1/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK14 Q16539 1/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL30190305 0.79 NTRK1 (0.33) CHRM2CHRM3
SCHEMBL26111723 0.75 SCN4A (0.47) F2RL3GRM5KMOALPLPDE10A
SCHEMBL5047902 0.74 AOC3 (0.47) F2RL3NPC1RAB9AMAPK14CHRM2
SCHEMBL15814002 0.72 F2RL3 (0.42) F2RL3GRM5KMOALPLPDE10A
SCHEMBL2752212 0.71 F2RL3 (0.41) F2RL3GRM5KMOALPLPDE10A
SCHEMBL24822802 0.69 ALOX5AP (0.35) CHRM2CHRM3
SCHEMBL25344575 0.69 KCNH2 (0.50) F2RL3GRM5KMODPP4NPC1
SCHEMBL26098881 0.69 TP53 (0.51) F2RL3GRM5KMOALPLPDE10A
SCHEMBL3800985 0.69 F2RL3 (0.39) F2RL3GRM5KMOALPLPDE10A
SCHEMBL6913488 0.69 ALDH1A1 (0.42) F2RL3GRM5KMOALPLPDE10A

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
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed