SCHEMBL8286207

SCHEMBL8286207

O=C1CCN([C@H]2CCCC[C@H]2c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.54
OPRM1 P35372 8/20 0.54
SLC6A5 Q9Y345 8/20 0.54
KCNH2 Q12809 1/20 0.54
OPRL1 P41146 4/20 0.52

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
SCHEMBL5556937 1.00 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL5556935 1.00 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL5562017 1.00 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL27668014 0.84 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL10740876 0.82 SMN1; SMN2 (0.57) SLC6A9OPRM1SLC6A5
SCHEMBL27719321 0.79 SLC6A9 (0.50) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL13119224 0.78 HPGD (0.53) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL13116655 0.78 HPGD (0.53) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL27782824 0.77 SLC18A3 (0.54)
SCHEMBL27625961 0.77 SLC18A3 (0.51) SLC6A9OPRM1SLC6A5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678177-B1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2007-11-28 EP disclosed
US-7189850-B2 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-7189850-B2 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2007-03-13 US disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed