SCHEMBL6672148

SCHEMBL6672148

c1cc2c(cc1OCCN1CCCCC1)CCN(CC1CC1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 1.00
HRH1 P35367 5/20 0.88
CYP2D6 P10635 1/20 0.61

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
SCHEMBL6672268 0.93 HRH3 (0.93) HRH3HRH1CYP2D6
SCHEMBL14287753 0.93 HRH3 (0.86) HRH3HRH1CYP2D6
SCHEMBL6071227 0.90 HRH3 (1.00) HRH3HRH1
SCHEMBL6071073 0.90 HRH3 (1.00) HRH3HRH1
SCHEMBL14287755 0.89 HRH3 (0.89) HRH3HRH1
SCHEMBL14287754 0.89 HRH3 (0.89) HRH3HRH1
SCHEMBL14287735 0.87 HRH3 (0.93) HRH3HRH1
SCHEMBL5904290 0.85 HRH3 (0.74) HRH3HRH1
Hydrochloric Acid SCHEMBL5904064 0.85 HRH3 (0.74) HRH3HRH1
SCHEMBL5904130 0.85 HRH3 (0.74) 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