SCHEMBL11023404

SCHEMBL11023404

CNCCC1CC(=O)CC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HTR2A P28223 2/20 0.35
HRH1 P35367 2/20 0.35
SLC6A2 P23975 1/20 0.33
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL1177039 0.75 MAPT (0.47) MAPT
SCHEMBL10359156 0.74 MAPT (0.41) MAPT
SCHEMBL10971228 0.71 CYP1A2 (0.44) MAPT
SCHEMBL11821261 0.70 BRD4 (0.45) MAPT
SCHEMBL9347647 0.70 MAPT (0.39) MAPT
SCHEMBL15821962 0.70 MAPT (0.43) MAPT
SCHEMBL5210228 0.70 CYP1A2 (0.52) MAPT
SCHEMBL1414180 0.69 MAPT (0.50) MAPT
SCHEMBL11832316 0.68 CYP1A2 (0.50) MAPT
SCHEMBL17919936 0.68 SIGMAR1 (0.50) MAPTHTR2AHRH1SIGMAR1

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-0035244-B1 CYCLOALKA(4,5)PYRROLO(2,3-G)ISOQUINOLINES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND MEDICINES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed
WO-1983000333-A1 ANTI-HYPERTENSOR, HETEROCYCLICALLY DI-ORTHOSUBSTITUTED PHENOLS TEULON, JEAN-MARIE 1983-02-03 WO disclosed
EP-0070779-A2 Di-ortho-substituted phenols of which one of the substitutions is a heterocycle, process for their preparation, anti-hypertensive medicines containing them and synthesis intermediates CARPIBEM (CENTRE D'ACTIVITE ET DE RECHERCHE PHARMACEUTIQUE INDUSTRIELLE BIOLOGIQUE ET MEDICALE) Société Anonyme dite: (FR) 1983-01-26 EP disclosed
EP-0035244-A2 Cycloalka(4,5)pyrrolo(2,3-g)isoquinolines, processes and intermediates for their preparation, and medicines containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-09-09 EP disclosed