SCHEMBL11270342

SCHEMBL11270342

C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.65
DRD3 P35462 7/20 0.65
CA2 P00918 3/20 0.65
DRD1 P21728 3/20 0.65
CA9 Q16790 3/20 0.65
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
ADRA2A P08913 2/20 0.65
CA6 P23280 2/20 0.65
CA5A P35218 2/20 0.65
CA7 P43166 2/20 0.65
CA5B Q9Y2D0 2/20 0.65
HTR1A P08908 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
CA4 P22748 1/20 0.65
HTR2A P28223 1/20 0.65
SLC6A4 P31645 1/20 0.65
KCNH2 Q12809 1/20 0.65
CA13 Q8N1Q1 1/20 0.65

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
SCHEMBL11302960 0.90 DRD2 (0.55) DRD2DRD3CA2DRD1CA9
SCHEMBL11271368 0.90 DRD2 (0.54) DRD2DRD3CA2DRD1CA9
Hydrochloric Acid SCHEMBL11269652 0.90 DRD2 (0.54) DRD2DRD3CA2DRD1CA9
SCHEMBL11265088 0.89 CA2 (0.62) DRD2DRD3CA2DRD1CA9
SCHEMBL11267678 0.85 CA2 (0.49) DRD2DRD3CA2DRD1CA9
SCHEMBL10805418 0.82 DRD2 (0.64) DRD2DRD3CA2DRD1CA9
SCHEMBL11265100 0.81 DRD2 (0.61) DRD2DRD3CA2DRD1CA9
Hydrochloric Acid SCHEMBL11259196 0.80 DRD2 (0.60) DRD2DRD3CA2DRD1CA9
SCHEMBL11269501 0.79 DRD2 (0.52) DRD2DRD3CA2DRD1CA9
Veralipride SCHEMBL237519 0.79 DRD2 (1.00) DRD2DRD3CA2DRD1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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