SCHEMBL4690506

SCHEMBL4690506

COc1cc(Cl)ccc1C(=O)N1CC2CN(CCCNc3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.52
HCRTR2 O43614 8/20 0.52
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38

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
SCHEMBL4691874 0.93 ALDH1A1 (0.43) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4695902 0.93 HCRTR2 (0.48) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4691406 0.90 HCRTR1 (0.48) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4690682 0.90 P2RX7 (0.44) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4690670 0.90 UBE2M (0.44) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4694270 0.89 HCRTR1 (0.50) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4690747 0.88 HCRTR1 (0.41) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4692694 0.88 LMNA (0.46) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4691840 0.88 MAPT (0.47) HCRTR1HCRTR2MAPTALDH1A1GAA
SCHEMBL4690931 0.88 MAPT (0.51) HCRTR1HCRTR2MAPTALDH1A1TSHR

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