SCHEMBL4690531

SCHEMBL4690531

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4ccc(S(C)(=O)=O)cc4)CC3C2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 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
SCHEMBL4695960 0.89 ALDH1A1 (0.46) MAPTALDH1A1LMNAGLAKMT2A
SCHEMBL4695971 0.88 LMNA (0.50) MAPTALDH1A1LMNAGLAUBE2M
SCHEMBL4692068 0.87 ALDH1A1 (0.49) MAPTALDH1A1LMNAUBE2MDCUN1D1
SCHEMBL4689516 0.87 MAPT (0.61) MAPTALDH1A1LMNAKMT2ATP53
SCHEMBL4693588 0.86 UBE2M (0.46) MAPTALDH1A1LMNAUBE2MDCUN1D1
SCHEMBL4690840 0.86 NPY2R (0.49) MAPTLMNAUBE2MDCUN1D1KMT2A
SCHEMBL4690537 0.85 ALDH1A1 (0.43) MAPTALDH1A1LMNAUBE2MDCUN1D1
SCHEMBL4696300 0.84 LMNA (0.45) MAPTALDH1A1LMNAGLAKMT2A
SCHEMBL4694326 0.83 TP53 (0.44) MAPTALDH1A1LMNAGLAUBE2M
SCHEMBL4691637 0.83 CCR5 (0.47) MAPTALDH1A1LMNAUBE2MDCUN1D1

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