SCHEMBL6690708

SCHEMBL6690708

COCCN1CCc2ccc(OCCCN3CCCCC3)cc2CC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.79
HRH1 P35367 3/20 0.70

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
SCHEMBL6071255 0.88 HRH3 (1.00) HRH3HRH1
SCHEMBL6071671 0.85 HRH3 (0.76) HRH3HRH1
SCHEMBL6695334 0.85 HRH3 (0.76) HRH3HRH1
SCHEMBL5100562 0.84 HRH3 (0.79) HRH3HRH1
SCHEMBL6071411 0.84 HRH3 (1.00) HRH3HRH1
SCHEMBL14287571 0.84 HRH3 (1.00) HRH3HRH1
SCHEMBL5100209 0.84 HRH3 (1.00) HRH3HRH1
SCHEMBL6070657 0.83 HRH3 (0.74) HRH3HRH1
SCHEMBL6070654 0.83 HRH3 (0.74) HRH3HRH1
SCHEMBL14287733 0.82 HRH3 (0.84) 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