SCHEMBL4693294

SCHEMBL4693294

Cc1ccc(NCCCN2CC3CN(C(=O)c4ncccc4C)CC3C2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE4B Q07343 1/20 0.40
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
TP53 P04637 1/20 0.40
EPHX2 P34913 1/20 0.39
CCR5 P51681 2/20 0.39
CSF1R P07333 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL4689933 0.94 MALT1 (0.43) MALT1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL4690545 0.88 KDM4E (0.41) MALT1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL4690614 0.88 HCRTR1 (0.42) MALT1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL4691538 0.87 CHRNB2 (0.44) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4693891 0.87 KDM4E (0.43) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4693274 0.87 HCRTR1 (0.50) MALT1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL3281865 0.86 CCR5 (0.52) MAPTALDH1A1GAASMN1; SMN2HCRTR1
SCHEMBL4693286 0.85 TP53 (0.45) MALT1MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL4693141 0.85 ALDH1A1 (0.45) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4754257 0.85 MALT1 (0.46) MALT1MAPTALDH1A1GAASMN1; SMN2

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