SCHEMBL11447632

SCHEMBL11447632

CN1CCCCC1CCOc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.56
HRH2 P25021 7/20 0.56
HRH1 P35367 7/20 0.56
SLC6A4 P31645 2/20 0.51
CHRM3 P20309 1/20 0.51

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
SCHEMBL11448117 0.97 HRH3 (0.56) HRH3HRH2HRH1SLC6A4CHRM3
SCHEMBL11466251 0.87 HCRTR1 (0.56) HRH1SLC6A4
SCHEMBL14577990 0.86 LTA4H (0.51) HRH3
SCHEMBL11459353 0.85 CHRNB4 (0.55) HRH2CHRM3
SCHEMBL11455837 0.85 HRH3 (0.52) HRH3
SCHEMBL11448034 0.85 KDM4E (0.51) HRH3
SCHEMBL11457025 0.85 SLC2A1 (0.53) HRH3
SCHEMBL11448915 0.84 SLC2A1 (0.58)
SCHEMBL11466424 0.84 CHRNB4 (0.55) HRH1SLC6A4CHRM3
SCHEMBL11447668 0.83 ESRRG (0.59) HRH3

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
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed