SCHEMBL4696300

SCHEMBL4696300

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4ccccc4S(C)(=O)=O)CC3C2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
TP53 P04637 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 3/20 0.42
GBA1 P04062 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 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 0.90 LMNA (0.48) LMNATP53MAPTKMT2AMEN1
SCHEMBL4691991 0.88 LMNA (0.43) LMNATP53MAPTKMT2AMEN1
SCHEMBL4691903 0.87 MEN1 (0.55) LMNATP53MAPTKMT2AMEN1
SCHEMBL4694219 0.87 LMNA (0.46) LMNATP53MAPTKMT2AMEN1
SCHEMBL4693483 0.87 HCRTR1 (0.48) LMNATP53MAPTKMT2AMEN1
SCHEMBL4694615 0.86 ALDH1A1 (0.46) LMNATP53MAPTKMT2AMEN1
SCHEMBL4694352 0.86 KMT2A (0.47) LMNATP53KMT2AALDH1A1HPGD
SCHEMBL4691866 0.86 KMT2A (0.47) LMNATP53MAPTKMT2AALDH1A1
SCHEMBL4696302 0.86 LMNA (0.45) LMNACNR1CNR2MAPTKMT2A
SCHEMBL4690539 0.86 TP53 (0.45) LMNATP53MAPTKMT2AMEN1

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