SCHEMBL14409347

SCHEMBL14409347

COc1ccc(/C=C/C(=O)N2CCC[C@H]2CN2CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.74
KCNH2 Q12809 1/20 0.68
PTGS2 P35354 2/20 0.56
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
GPR183 P32249 1/20 0.47

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
SCHEMBL5224172 1.00 HRH3 (0.74) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL14409312 0.99 HRH3 (0.75) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL5221321 0.99 HRH3 (0.75) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL5223528 0.97 HRH3 (0.72) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL14409463 0.97 HRH3 (0.72) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL5958347 0.88 HRH3 (0.70) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL5219302 0.88 HRH3 (0.70) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL5219293 0.88 HRH3 (0.70) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL5221616 0.87 HRH3 (0.71) HRH3KCNH2PTGS2
SCHEMBL5221600 0.87 HRH3 (0.71) HRH3KCNH2PTGS2

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
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed