SCHEMBL4694615

SCHEMBL4694615

CNc1ccccc1C(=O)N1CC2CN(CCC(=O)Nc3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
GBA1 P04062 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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 0.91 LMNA (0.48) ALDH1A1TSHRHTTUSP2ALOX15
SCHEMBL4691991 0.90 LMNA (0.43) ALDH1A1TSHRHTTLMNATP53
SCHEMBL4693483 0.88 HCRTR1 (0.48) ALDH1A1TSHRHTTLMNATP53
SCHEMBL4694219 0.88 LMNA (0.46) ALDH1A1TSHRHTTUSP2ALOX15
SCHEMBL4691903 0.88 MEN1 (0.55) ALDH1A1HTTLMNATP53MAPT
SCHEMBL4694352 0.87 KMT2A (0.47) ALDH1A1TSHRUSP2LMNATP53
SCHEMBL4691866 0.87 KMT2A (0.47) ALDH1A1TSHRUSP2LMNATP53
SCHEMBL4690539 0.86 TP53 (0.45) ALDH1A1TSHRHTTLMNATP53
SCHEMBL4696300 0.86 LMNA (0.45) ALDH1A1TSHRHTTLMNATP53
SCHEMBL4690632 0.86 LMNA (0.44) ALDH1A1TSHRHTTUSP2ALOX15

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