SCHEMBL14409352

SCHEMBL14409352

O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@H]1CN1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.76
KCNH2 Q12809 2/20 0.76
OPRD1 P41143 1/20 0.53
CCR2 P41597 1/20 0.52
GAA P10253 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL5220835 1.00 HRH3 (0.76) HRH3KCNH2OPRD1CCR2GAA
SCHEMBL5217233 0.99 HRH3 (0.77) HRH3KCNH2OPRD1CCR2S1PR1
SCHEMBL14409440 0.99 HRH3 (0.77) HRH3KCNH2OPRD1CCR2S1PR1
SCHEMBL14409481 0.87 HRH3 (0.98) HRH3KCNH2OPRD1
SCHEMBL5218586 0.87 HRH3 (0.98) HRH3KCNH2OPRD1
SCHEMBL5219936 0.87 HRH3 (0.74) HRH3KCNH2OPRD1CCR2
SCHEMBL14409490 0.87 HRH3 (0.74) HRH3KCNH2OPRD1CCR2
SCHEMBL14409596 0.86 HRH3 (1.00) HRH3KCNH2OPRD1
SCHEMBL5216540 0.86 HRH3 (1.00) HRH3KCNH2OPRD1
SCHEMBL14409320 0.86 HRH3 (0.78) 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