SCHEMBL4691997

SCHEMBL4691997

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccccc4NS(C)(=O)=O)CC3C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.38
LMNA P02545 3/20 0.38
AGTR1 P30556 1/20 0.38
CCR5 P51681 2/20 0.38
RCE1 Q9Y256 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
UBE2M P61081 1/20 0.37

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
SCHEMBL4694619 0.91 MAPT (0.42) MAPTKDM4ENPSR1ALDH1A1SMN1; SMN2
SCHEMBL4693334 0.89 ALDH1A1 (0.45) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4692889 0.89 MAPT (0.45) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4696302 0.89 LMNA (0.45) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4691905 0.87 HCRTR1 (0.47) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4690668 0.87 ALDH1A1 (0.43) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4691991 0.87 LMNA (0.43) MAPTKDM4ENPSR1ALDH1A1SMN1; SMN2
SCHEMBL4694235 0.86 ALDH1A1 (0.43) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4693486 0.86 HCRTR1 (0.48) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4693961 0.86 HCRTR1 (0.46) MAPTKDM4EALDH1A1SMN1; SMN2GAA

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