SCHEMBL14409481

SCHEMBL14409481

O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1CN1CCCCC1

nearest known ligand 0.98

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.98
KCNH2 Q12809 2/20 0.98
OPRD1 P41143 1/20 0.62
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL5218586 1.00 HRH3 (0.98) HRH3KCNH2OPRD1KMT2AMEN1
SCHEMBL5216540 0.99 HRH3 (1.00) HRH3KCNH2OPRD1KMT2A
SCHEMBL14409596 0.99 HRH3 (1.00) HRH3KCNH2OPRD1KMT2A
SCHEMBL5220599 0.97 HRH3 (0.96) HRH3KCNH2OPRD1KMT2A
SCHEMBL14409586 0.97 HRH3 (0.96) HRH3KCNH2OPRD1KMT2A
SCHEMBL5217787 0.88 HRH3 (0.80) HRH3KCNH2OPRD1KMT2AMEN1
SCHEMBL14409442 0.88 HRH3 (0.80) HRH3KCNH2OPRD1KMT2AMEN1
SCHEMBL14409352 0.87 HRH3 (0.76) HRH3KCNH2OPRD1
SCHEMBL5220835 0.87 HRH3 (0.76) HRH3KCNH2OPRD1
SCHEMBL14409420 0.86 HRH3 (0.78) HRH3KCNH2OPRD1KMT2AALDH1A1

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