SCHEMBL4694844

SCHEMBL4694844

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4cc5ccccc5nc4C)CC3C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.43
TERT O14746 5/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
F2 P00734 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4693797 0.87 MAPT (0.51) POLBTP53LMNATERTMAPT
SCHEMBL4694846 0.86 SMN1; SMN2 (0.40) POLBMAPTALDH1A1F2KMT2A
SCHEMBL4692884 0.86 LMNA (0.48) POLBTP53LMNAMAPTALDH1A1
SCHEMBL4690539 0.83 TP53 (0.45) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL4693710 0.83 HCRTR1 (0.52) POLBTP53LMNAMAPTKMT2A
SCHEMBL4691903 0.83 MEN1 (0.55) POLBTP53LMNAMAPTALDH1A1
SCHEMBL4693483 0.83 HCRTR1 (0.48) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL4694219 0.83 LMNA (0.46) POLBTP53LMNAMAPTALDH1A1
SCHEMBL4694615 0.82 ALDH1A1 (0.46) POLBTP53LMNAMAPTALDH1A1
SCHEMBL4694352 0.82 KMT2A (0.47) POLBTP53LMNAALDH1A1KMT2A

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