SCHEMBL4692884

SCHEMBL4692884

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4ccccc4C)CC3C2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
HTT P42858 4/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
USP2 O75604 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 3/20 0.46
GBA1 P04062 1/20 0.46
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL4691866 0.92 KMT2A (0.47) LMNAMAPTALDH1A1USP2TP53
SCHEMBL4694219 0.92 LMNA (0.46) LMNAHTTMAPTALDH1A1USP2
SCHEMBL4691903 0.92 MEN1 (0.55) LMNAHTTMAPTALDH1A1TP53
SCHEMBL4693483 0.92 HCRTR1 (0.48) LMNAHTTMAPTALDH1A1TP53
SCHEMBL4694615 0.91 ALDH1A1 (0.46) LMNAHTTMAPTALDH1A1USP2
SCHEMBL4694352 0.90 KMT2A (0.47) LMNAALDH1A1USP2TP53HPGD
SCHEMBL4695934 0.90 HCRTR1 (0.47) LMNAMAPTALDH1A1USP2TP53
SCHEMBL4696300 0.90 LMNA (0.45) LMNAHTTMAPTALDH1A1TP53
SCHEMBL4690632 0.90 LMNA (0.44) LMNAHTTMAPTALDH1A1USP2
SCHEMBL4691299 0.90 MAPT (0.49) LMNAMAPTTP53HPGDHSD17B10

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 6 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
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 disclosed
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 disclosed