SCHEMBL4692164

SCHEMBL4692164

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4cc5ccccc5n4C)CC3C2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.45
GRM4 Q14833 1/20 0.44
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 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
SCHEMBL4692171 0.86 HDAC6 (0.41) LMNAGRM4KMT2AMEN1ALDH1A1
SCHEMBL4693812 0.84 LMNA (0.48) LMNATHRBTP53KMT2AALDH1A1
SCHEMBL4692884 0.83 LMNA (0.48) LMNATHRBTP53KMT2AMEN1
SCHEMBL3281859 0.82 CCR5 (0.52) LMNATP53KMT2AMEN1ALDH1A1
SCHEMBL4694527 0.82 DRD3 (0.53) LMNAKMT2AMEN1DRD2DRD3
SCHEMBL4693797 0.82 MAPT (0.51) LMNATP53KMT2AMEN1POLB
SCHEMBL4693483 0.81 HCRTR1 (0.48) LMNATHRBTP53KMT2AMEN1
SCHEMBL4694219 0.81 LMNA (0.46) LMNATHRBTP53KMT2AMEN1
SCHEMBL4691903 0.81 MEN1 (0.55) LMNATP53KMT2AMEN1POLB
SCHEMBL4694844 0.81 POLB (0.45) LMNATP53KMT2AMEN1POLB

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