SCHEMBL4690537

SCHEMBL4690537

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccc(S(C)(=O)=O)cc4)CC3C2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AGTR1 P30556 1/20 0.40
CCR3 P51677 1/20 0.39
CNR2 P34972 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL4691224 0.90 UBE2M (0.45) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL4691668 0.89 GPR6 (0.42) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL4695962 0.89 MEN1 (0.41) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL4691640 0.89 MAPT (0.54) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL4695974 0.88 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL4692075 0.87 MAPT (0.43) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL4690845 0.87 NPY2R (0.46) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL4689521 0.87 MAPT (0.57) ALDH1A1MAPTLMNAHTTUBE2M
SCHEMBL4693591 0.86 KDM1A (0.44) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL4690531 0.85 MAPT (0.48) ALDH1A1MAPTLMNAGAAHTT

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