SCHEMBL4690632

SCHEMBL4690632

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4ccccc4N(C)C)CC3C2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
GBA1 P04062 1/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 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
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
USP2 O75604 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
SCHEMBL4692884 0.90 LMNA (0.48) LMNATP53MAPTSMN1; SMN2KMT2A
SCHEMBL4694998 0.88 TP53 (0.41) LMNATP53MAPTSMN1; SMN2KMT2A
SCHEMBL4694219 0.87 LMNA (0.46) LMNATP53MAPTSMN1; SMN2KMT2A
SCHEMBL4691903 0.87 MEN1 (0.55) LMNATP53MAPTSMN1; SMN2KMT2A
SCHEMBL4693483 0.87 HCRTR1 (0.48) LMNATP53MAPTSMN1; SMN2KMT2A
SCHEMBL4694615 0.86 ALDH1A1 (0.46) LMNATP53MAPTSMN1; SMN2KMT2A
SCHEMBL4691866 0.86 KMT2A (0.47) LMNATP53MAPTSMN1; SMN2KMT2A
SCHEMBL4694352 0.86 KMT2A (0.47) LMNATP53SMN1; SMN2KMT2AALDH1A1
SCHEMBL4695194 0.86 TP53 (0.42) LMNATP53MAPTKMT2AMEN1
SCHEMBL4696300 0.86 LMNA (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 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