SCHEMBL4685035

SCHEMBL4685035

N#Cc1ccc(OCCCCN2CCC3CCCCC3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.64
HRH2 P25021 12/20 0.60
HRH1 P35367 12/20 0.60
MEN1 O00255 5/20 0.53

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
SCHEMBL4622889 0.96 HRH3 (0.65) HRH3HRH2HRH1MEN1
Oxalic Acid SCHEMBL4505073 0.93 HRH3 (0.57) HRH3HRH2HRH1MEN1
SCHEMBL4684886 0.90 HRH3 (0.66) HRH3HRH2HRH1MEN1
Oxalic Acid SCHEMBL4491231 0.90 HRH3 (0.61) HRH3HRH2HRH1MEN1
SCHEMBL4494406 0.88 HRH3 (0.68) HRH3HRH2HRH1MEN1
SCHEMBL14150224 0.85 HRH3 (0.68) HRH3HRH2HRH1MEN1
SCHEMBL4491586 0.85 HRH3 (0.68) HRH3HRH2HRH1MEN1
Oxalic Acid SCHEMBL4493442 0.83 HRH3 (0.60) HRH3HRH2HRH1MEN1
SCHEMBL1978291 0.83 HRH3 (0.71) HRH3HRH2HRH1
Oxalic Acid SCHEMBL4495484 0.81 HRH3 (0.61) HRH3HRH2HRH1MEN1

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-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed