SCHEMBL4691680

SCHEMBL4691680

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4cnn(-c5ccccc5)c4C)CC3C2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
PKM P14618 1/20 0.51
EIF4A3 P38919 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
MCL1 Q07820 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
SCHEMBL4691661 0.93 MAPT (0.45) POLBTP53SMN1; SMN2MAPTNPC1
SCHEMBL4691500 0.90 NR1H4 (0.54) POLBTP53SMN1; SMN2MAPTNPC1
SCHEMBL4691686 0.87 MAPT (0.48) POLBTP53SMN1; SMN2MAPTNPC1
SCHEMBL4690880 0.87 TP53 (0.50) POLBTP53SMN1; SMN2MAPTNPC1
SCHEMBL4693150 0.86 TP53 (0.53) POLBTP53MAPTNPC1RAB9A
SCHEMBL4692884 0.84 LMNA (0.48) POLBTP53SMN1; SMN2MAPTHPGD
SCHEMBL4695747 0.83 NR1H4 (0.47) POLBTP53SMN1; SMN2MAPTHPGD
SCHEMBL4692823 0.83 NR1H4 (0.47) POLBTP53SMN1; SMN2MAPTNR1H4
SCHEMBL4694220 0.83 NR1H4 (0.46) POLBTP53SMN1; SMN2MAPTNPC1
SCHEMBL4694219 0.82 LMNA (0.46) POLBTP53SMN1; SMN2MAPTHPGD

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