SCHEMBL8544972

SCHEMBL8544972

CCS(=O)(=O)c1ccc(OC)c(-c2ccc[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.56
DRD3 P35462 19/20 0.56

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
SCHEMBL7569525 0.92 DRD2 (0.49) DRD2DRD3
SCHEMBL8542006 0.86 DRD2 (0.50) DRD2DRD3
SCHEMBL8545748 0.84 ALDH1A1 (0.54) DRD2DRD3
SCHEMBL8540116 0.82 L3MBTL1 (0.55) DRD2DRD3
SCHEMBL8540314 0.82 POLB (0.47) DRD2DRD3
SCHEMBL8544314 0.82 MAPT (0.54) DRD2DRD3
SCHEMBL8543692 0.82 DRD2 (0.45) DRD2DRD3
SCHEMBL9053438 0.82 SMN1; SMN2 (0.51) DRD2DRD3
SCHEMBL8846873 0.80 DRD2 (0.49) DRD2DRD3
SCHEMBL9053622 0.80 DRD2 (0.50) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654023-B1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-16 EP disclosed
EP-0705259-B1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-02-25 EP disclosed
US-5688790-A Phenylpyrrole derivatives and their use as antipsychotic agents SMITHKLINE BEECHAM PLC (GB) 1997-11-18 US disclosed
US-5637609-A CARRYING OUT A MANNICH REACTION, VILSMEIER REACTION, REDUCING THE INTERMEDIATE FORMED, FOLLOWED BY REDUCTIVE AMINATION; ANTIPSYCHOTIC AGENT SMITHKLINE BEECHAM PLC (GB) 1997-06-10 US disclosed
US-5523299-A ADMINISTERING IN TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 1996-06-04 US disclosed
EP-0711279-A1 2-PHENYLPYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
EP-0711278-A1 2-(2-HYDROXYPHENYL)-5-(N-PHENYLMETHYL-AMINOMETHYL)-PYRROLES AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
EP-0705259-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP disclosed
EP-0654023-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-05-24 EP disclosed
WO-1995004039-A1 2-PHENYLPYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed
WO-1995004037-A1 2-(2-HYDROXYPHENYL)-5-(N-PHENYLMETHYL-AMINOMETHYL)-PYRROLES AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed
WO-1995000508-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO disclosed
CN-1084169-A New phenylpyrrole derivative and its production and use SMITHKLINE BEECHAM PLC (GB) 1994-03-23 CN disclosed
WO-1994003426-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-02-17 WO disclosed
EP-0259930-B1 DERIVATIVES OF PHENYL, PYRROLIDIN-2-YL SUBSTITUTED 5-RING HETEROCYCLES HAVING ANTIPSYCHOTIC PROPERTIES DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-02-05 EP disclosed
US-4791132-A Phenyl, Pyrrolidin-2-yl substituted pyrroles having antipsychotic properties DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1988-12-13 US disclosed
EP-0259930-A1 Derivatives of phenyl, pyrrolidin-2-yl substituted 5-ring heterocycles having antipsychotic properties DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-03-16 EP disclosed