SCHEMBL4693136

SCHEMBL4693136

COc1ncccc1C(=O)N1CC2CN(CCC(=O)Nc3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GBA1 P04062 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL4690539 0.90 TP53 (0.45) MAPTALDH1A1MEN1KMT2AGBA1
SCHEMBL4690604 0.88 TP53 (0.44) MAPTHCRTR1HCRTR2MEN1KMT2A
SCHEMBL4694383 0.87 SMN1; SMN2 (0.50) MAPTHCRTR1HCRTR2ALDH1A1MEN1
SCHEMBL4693141 0.87 ALDH1A1 (0.45) MAPTHCRTR1HCRTR2ALDH1A1MEN1
SCHEMBL5662686 0.87 MALT1 (0.50) MAPTHCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL4695194 0.87 TP53 (0.42) MAPTALDH1A1MEN1KMT2AGBA1
SCHEMBL4691400 0.86 KMT2A (0.50) MAPTHCRTR1HCRTR2ALDH1A1MEN1
SCHEMBL4691299 0.86 MAPT (0.49) MAPTKMT2ASMN1; SMN2TP53LMNA
SCHEMBL4689928 0.85 MALT1 (0.47) MAPTALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL4693286 0.85 TP53 (0.45) MAPTALDH1A1KMT2ASMN1; SMN2TP53

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