SCHEMBL14409490

SCHEMBL14409490

O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@H]1CN1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.74
KCNH2 Q12809 2/20 0.74
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL5219936 1.00 HRH3 (0.74) HRH3KCNH2OPRD1OPRK1CCR2
SCHEMBL5221274 0.99 HRH3 (0.75) HRH3KCNH2OPRD1CCR2
SCHEMBL14409479 0.99 HRH3 (0.75) HRH3KCNH2OPRD1CCR2
SCHEMBL14409352 0.87 HRH3 (0.76) HRH3KCNH2OPRD1CCR2
SCHEMBL5220835 0.87 HRH3 (0.76) HRH3KCNH2OPRD1CCR2
SCHEMBL14409481 0.86 HRH3 (0.98) HRH3KCNH2OPRD1
SCHEMBL5218586 0.86 HRH3 (0.98) HRH3KCNH2OPRD1
SCHEMBL5217233 0.85 HRH3 (0.77) HRH3KCNH2OPRD1CCR2
SCHEMBL14409440 0.85 HRH3 (0.77) HRH3KCNH2OPRD1CCR2
SCHEMBL5216540 0.85 HRH3 (1.00) HRH3KCNH2OPRD1

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