SCHEMBL4693483

SCHEMBL4693483

CCc1ccccc1C(=O)N1CC2CN(CCC(=O)Nc3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
LMNA P02545 6/20 0.46
TP53 P04637 1/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
GBA1 P04062 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
F2R P25116 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL4692884 0.92 LMNA (0.48) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL4694219 0.89 LMNA (0.46) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL4691903 0.89 MEN1 (0.55) HCRTR1HCRTR2LMNATP53KMT2A
SCHEMBL4694615 0.88 ALDH1A1 (0.46) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL4694352 0.88 KMT2A (0.47) LMNATP53KMT2AALDH1A1TSHR
SCHEMBL4691866 0.88 KMT2A (0.47) HCRTR1HCRTR2LMNATP53KMT2A
SCHEMBL4692331 0.88 MAPT (0.52) HCRTR1HCRTR2LMNAKMT2AMAPT
SCHEMBL4691400 0.87 KMT2A (0.50) HCRTR1HCRTR2LMNAKMT2AMAPT
SCHEMBL4690632 0.87 LMNA (0.44) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL4696300 0.87 LMNA (0.45) LMNATP53KMT2AMAPTALDH1A1

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