SCHEMBL9326100

SCHEMBL9326100

NCCN1CC=C(c2cccc3c2OCCO3)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.51
SLC6A4 P31645 4/20 0.51
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL9326213 0.81 HTR1A (0.47) HTR1ASLC6A4DRD2DRD4
SCHEMBL8544064 0.81 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4
SCHEMBL9444705 0.75 HTR1A (0.64) HTR1ASLC6A4DRD4
Hydrochloric Acid SCHEMBL9323890 0.75 HTR1A (0.64) HTR1ASLC6A4DRD4
SCHEMBL6610951 0.74 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL9030293 0.74 HTR1D (0.52) HTR1ASLC6A4DRD2
SCHEMBL6591284 0.73 DRD2 (0.59) HTR1ASLC6A4DRD2
SCHEMBL6594841 0.73 HTR1A (0.68) HTR1ASLC6A4DRD2DRD4
SCHEMBL6589336 0.73 DRD2 (0.59) HTR1ASLC6A4DRD2
SCHEMBL11828531 0.73 HTR1A (0.47) HTR1ADRD2DRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed
US-5292761-A Piperidine, tetrahydropyridine and pyrrolidine compounds ADIR ET COMPAGNIE (FR) 1994-03-08 US disclosed
US-5278185-A Piperidine, Tetrahydropyridine and pyrrolidine compounds ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5260317-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-11-09 US disclosed
US-5250544-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-10-05 US disclosed
US-5242933-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-09-07 US disclosed
US-5240942-A Hypotensive agents; 5-hydroxytryptamine antagonist ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed
EP-0466585-A1 Novel piperidin, tetrahydropyridine and pyrrolidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-01-15 EP disclosed