SCHEMBL2729765

SCHEMBL2729765

Cc1ccccc1S(=O)(=O)N(C)C(C)CCN1CCC(C)CC1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 14/20 0.74
▸ DRD2 P14416 1/20 0.67
▸ HTR1D P28221 1/20 0.67
▸ DRD3 P35462 1/20 0.67
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ SIGMAR1 Q99720 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ CCR5 P51681 1/20 0.40

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
Sb-258719 SCHEMBL2471088 0.81 HTR7 (1.00) HTR7DRD2HTR1DDRD3HTR2A
Sb-258719 SCHEMBL29774472 0.81 HTR7 (1.00) HTR7DRD2HTR1DDRD3HTR2A
Sb-258719 SCHEMBL2471089 0.81 HTR7 (1.00) HTR7DRD2HTR1DDRD3HTR2A
Sb-258719 SCHEMBL3688509 0.80 HTR7 (0.98) HTR7DRD2HTR1DDRD3HTR2A
SCHEMBL4456846 0.74 HTR7 (0.58) HTR7DRD2HTR1DDRD3SIGMAR1
SCHEMBL8553908 0.73 HTR7 (1.00) HTR7DRD2HTR1DDRD3HTR2A
Hydrochloric Acid SCHEMBL8593597 0.73 HTR7 (0.98) HTR7DRD2HTR1DDRD3HTR2A
SCHEMBL3945353 0.72 HTR7 (0.49) HTR7DRD2HTR1DDRD3HTR2A
SCHEMBL5440416 0.72 HTR7 (0.56) HTR7DRD2HTR1DDRD3SIGMAR1
SCHEMBL8552181 0.72 HTR7 (0.77) HTR7DRD2HTR1DDRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058769-A1 METHOD OF TREATING MUCOSAL INFLAMMATION MCMASTER UNIVERSITY (CA) 2012-05-10 — — WO disclosed
EP-2049090-A1 USE OF 5-HT7 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-22 — — EP disclosed
WO-2008000495-A1 USE OF 5-HT7 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN LABORATORIOS DEL DR. ESTEVE, S.A (ES) 2008-01-03 — — WO disclosed
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