SCHEMBL14409486

SCHEMBL14409486

COc1cccc(/C=C/C(=O)N2CCC[C@H]2CN2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.62
KCNH2 Q12809 1/20 0.59
CCR2 P41597 1/20 0.47
CCR3 P51677 1/20 0.47
PTGS2 P35354 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 1/20 0.46
FOS P01100 1/20 0.45
JUN P05412 1/20 0.45
MAOB P27338 1/20 0.45
UTS2R Q9UKP6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5219028 1.00 HRH3 (0.62) HRH3KCNH2CCR2CCR3PTGS2
SCHEMBL14409312 0.87 HRH3 (0.75) HRH3KCNH2PTGS2KMT2AALDH1A1
SCHEMBL5221321 0.87 HRH3 (0.75) HRH3KCNH2PTGS2KMT2AALDH1A1
SCHEMBL14409320 0.87 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL5223516 0.87 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL5224172 0.86 HRH3 (0.74) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL14409347 0.86 HRH3 (0.74) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL5223528 0.85 HRH3 (0.72) HRH3KCNH2PTGS2KMT2AALDH1A1
SCHEMBL14409463 0.85 HRH3 (0.72) HRH3KCNH2PTGS2KMT2AALDH1A1
SCHEMBL5217334 0.84 HRH3 (0.66) HRH3KCNH2CCR2PTGS2KMT2A

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