SCHEMBL4691670

SCHEMBL4691670

COc1ccc(Cl)c(OC)c1C(=O)N1CC2CN(CCCNc3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
DUSP3 P51452 2/20 0.39
PTPN5 P54829 2/20 0.39
PTPN11 Q06124 2/20 0.39
CCR5 P51681 3/20 0.38
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
MCL1 Q07820 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
ACHE P22303 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4693901 0.90 HCRTR1 (0.47) GAAMAPTALDH1A1CCR5LMNA
SCHEMBL4690310 0.88 MAPT (0.46) GAAMAPTALDH1A1DUSP3PTPN5
SCHEMBL4691666 0.86 CCR3 (0.47) GAAALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4692332 0.86 CCR5 (0.51) GAAMAPTALDH1A1CCR5LMNA
SCHEMBL4692628 0.85 HCRTR1 (0.50) GAAALDH1A1LMNAHTTHCRTR1
SCHEMBL4691840 0.85 MAPT (0.47) GAAMAPTALDH1A1DUSP3PTPN5
SCHEMBL4691874 0.85 ALDH1A1 (0.43) GAAMAPTALDH1A1DUSP3PTPN5
SCHEMBL4694353 0.84 KCNK3 (0.46) GAAMAPTALDH1A1DUSP3PTPN5
SCHEMBL4693543 0.84 MAPT (0.46) GAAMAPTALDH1A1CCR5LMNA
SCHEMBL4691406 0.84 HCRTR1 (0.48) GAAMAPTALDH1A1HCRTR1HCRTR2

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