SCHEMBL6671865

SCHEMBL6671865

c1cc2c(cc1OCCCCN1CCCCC1)CCNCC2

nearest known ligand 0.92

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.92
HRH1 P35367 3/20 0.92
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
SLC2A1 P11166 1/20 0.59

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
SCHEMBL6071401 0.96 HRH3 (1.00) HRH3HRH1SLC2A1
SCHEMBL14287596 0.92 HRH3 (0.93) HRH3HRH1MAOAMAOB
SCHEMBL6675509 0.92 HRH3 (1.00) HRH3HRH1
Hydrochloric Acid SCHEMBL5093983 0.91 HRH3 (0.91) HRH3HRH1MAOAMAOB
SCHEMBL14287568 0.88 HRH3 (1.00) HRH3HRH1
SCHEMBL14287578 0.88 HRH3 (1.00) HRH3HRH1
Hydrochloric Acid SCHEMBL5093952 0.87 HRH3 (0.97) HRH3HRH1SLC2A1
Hydrochloric Acid SCHEMBL5101240 0.87 HRH3 (0.97) HRH3HRH1SLC2A1
SCHEMBL491851 0.86 HRH3 (0.69) HRH3HRH1MAOAMAOB
SCHEMBL14287582 0.84 HRH3 (0.88) HRH3HRH1

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
WO-2004035544-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2004-04-29 WO disclosed