SCHEMBL14409586

SCHEMBL14409586

O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCCCC1CN1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.96
KCNH2 Q12809 2/20 0.96
OPRD1 P41143 1/20 0.67
KMT2A Q03164 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
SCHEMBL5220599 1.00 HRH3 (0.96) HRH3KCNH2OPRD1KMT2A
SCHEMBL14409596 0.98 HRH3 (1.00) HRH3KCNH2OPRD1KMT2A
SCHEMBL5216540 0.98 HRH3 (1.00) HRH3KCNH2OPRD1KMT2A
SCHEMBL5218586 0.97 HRH3 (0.98) HRH3KCNH2OPRD1KMT2A
SCHEMBL14409481 0.97 HRH3 (0.98) HRH3KCNH2OPRD1KMT2A
SCHEMBL9654388 0.88 HRH3 (0.76) HRH3KCNH2OPRD1KMT2A
SCHEMBL9654389 0.88 HRH3 (0.76) HRH3KCNH2OPRD1KMT2A
SCHEMBL14409442 0.86 HRH3 (0.80) HRH3KCNH2OPRD1KMT2A
SCHEMBL5217787 0.86 HRH3 (0.80) HRH3KCNH2OPRD1KMT2A
SCHEMBL14409440 0.85 HRH3 (0.77) 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