SCHEMBL4693245

SCHEMBL4693245

COc1cc(C(=O)N2CC3CN(CCCNc4ccc(C)c(Cl)c4)CC3C2)c(OC)nn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HCRTR1 O43613 11/20 0.37
HCRTR2 O43614 11/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 1/20 0.35
USP2 O75604 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL4694388 0.88 RAB9A (0.43) MAPTALDH1A1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL4693242 0.87 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4693141 0.85 ALDH1A1 (0.45) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4690931 0.84 MAPT (0.51) MAPTALDH1A1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL4691305 0.83 MAPT (0.42) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4691406 0.83 HCRTR1 (0.48) MAPTALDH1A1GAAHCRTR1HCRTR2
SCHEMBL4691874 0.82 ALDH1A1 (0.43) MAPTALDH1A1GAAKDM4EHCRTR1
SCHEMBL4690506 0.82 HCRTR1 (0.52) MAPTALDH1A1GAAHCRTR1HCRTR2
SCHEMBL4695902 0.82 HCRTR2 (0.48) MAPTALDH1A1GAAHCRTR1HCRTR2
SCHEMBL4691840 0.82 MAPT (0.47) MAPTALDH1A1GAASMN1; SMN2HCRTR1

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-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