SCHEMBL11269501

SCHEMBL11269501

CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)NC)cc2c1OCCO2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD3 P35462 3/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CA2 P00918 2/20 0.52
DRD1 P21728 2/20 0.52
DRD4 P21917 2/20 0.52
CA9 Q16790 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA3 P07451 1/20 0.52
ADRA2A P08913 1/20 0.52
MAPT P10636 1/20 0.52
PTGS1 P23219 1/20 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
SCHEMBL11270711 0.97 DRD2 (0.52) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11273180 0.90 DRD2 (0.43) DRD2
SCHEMBL11265100 0.90 DRD2 (0.61) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11271368 0.90 DRD2 (0.54) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11265088 0.90 CA2 (0.62) DRD2DRD3CA2DRD1DRD4
Hydrochloric Acid SCHEMBL11259196 0.90 DRD2 (0.60) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11261715 0.88 DRD2 (0.52) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11366374 0.88 DRD2 (0.60) DRD2DRD3ADRA2BADRA2CSLC6A4
Hydrochloric Acid SCHEMBL11258188 0.87 DRD2 (0.59) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11302960 0.82 DRD2 (0.55) DRD2DRD3ADRA2BADRA2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US claimed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US claimed
US-4323503-A PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1982-04-06 US disclosed
US-4306072-A ANXIOLYTIC AND PSYCHOSTIMULANT ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE (FR) 1981-12-15 US disclosed
US-4268512-A ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-05-19 US disclosed
US-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US disclosed
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US disclosed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US disclosed