SCHEMBL14409487

SCHEMBL14409487

O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 1.00
KCNH2 Q12809 2/20 0.75
EPHX2 P34913 1/20 0.47
OPRD1 P41143 1/20 0.47
NAMPT P43490 1/20 0.44
PTGS2 P35354 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL5220028 1.00 HRH3 (1.00) HRH3KCNH2EPHX2OPRD1NAMPT
SCHEMBL5215701 0.99 HRH3 (0.98) HRH3KCNH2EPHX2OPRD1NAMPT
SCHEMBL14409427 0.99 HRH3 (0.98) HRH3KCNH2EPHX2OPRD1NAMPT
SCHEMBL14409320 0.88 HRH3 (0.78) HRH3KCNH2OPRD1NAMPTKMT2A
SCHEMBL5223516 0.88 HRH3 (0.78) HRH3KCNH2OPRD1NAMPTKMT2A
SCHEMBL5220121 0.88 HRH3 (0.78) HRH3KCNH2OPRD1PTGS2KMT2A
SCHEMBL5220127 0.88 HRH3 (0.78) HRH3KCNH2OPRD1PTGS2KMT2A
SCHEMBL5220130 0.88 HRH3 (0.78) HRH3KCNH2OPRD1PTGS2KMT2A
SCHEMBL5222619 0.87 HRH3 (0.76) HRH3KCNH2OPRD1PTGS2KMT2A
SCHEMBL5222601 0.87 HRH3 (0.76) HRH3KCNH2OPRD1PTGS2KMT2A

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