SCHEMBL4695902

SCHEMBL4695902

COc1ccc(C(=O)N2CC3CN(CCCNc4ccc(C)c(Cl)c4)CC3C2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 0.48
HCRTR1 O43613 11/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.45

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
SCHEMBL4691840 0.93 MAPT (0.47) HCRTR2HCRTR1ALDH1A1MAPTGAA
SCHEMBL4690506 0.93 HCRTR1 (0.52) HCRTR2HCRTR1ALDH1A1MAPTGAA
SCHEMBL4690931 0.93 MAPT (0.51) HCRTR2HCRTR1ALDH1A1MAPTHTT
SCHEMBL4691406 0.90 HCRTR1 (0.48) HCRTR2HCRTR1ALDH1A1MAPTGAA
SCHEMBL4690310 0.90 MAPT (0.46) HCRTR2HCRTR1ALDH1A1MAPTGAA
SCHEMBL4694783 0.89 MAPT (0.46) HCRTR2HCRTR1ALDH1A1MAPTHTT
SCHEMBL4689521 0.88 MAPT (0.57) ALDH1A1MAPTHTT
SCHEMBL4691874 0.88 ALDH1A1 (0.43) HCRTR2HCRTR1ALDH1A1MAPTGAA
SCHEMBL4695900 0.87 MAPT (0.51) HCRTR2HCRTR1ALDH1A1MAPTGAA
SCHEMBL4694353 0.87 KCNK3 (0.46) HCRTR2HCRTR1ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed