SCHEMBL4693591

SCHEMBL4693591

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccc(C#N)cc4)CC3C2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
FASN P49327 13/20 0.43
ALDH1A1 P00352 4/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR5 P51681 1/20 0.40

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 0.89 UBE2M (0.45) ALDH1A1UBE2MDCUN1D1MAPTLMNA
SCHEMBL4691614 0.88 ALDH1A1 (0.46) FASNALDH1A1MAPTLMNAGAA
SCHEMBL4691640 0.88 MAPT (0.54) ALDH1A1UBE2MDCUN1D1MAPTLMNA
SCHEMBL4695974 0.87 ALDH1A1 (0.43) ALDH1A1UBE2MDCUN1D1MAPTLMNA
SCHEMBL4689521 0.86 MAPT (0.57) ALDH1A1UBE2MDCUN1D1MAPTLMNA
SCHEMBL4690537 0.86 ALDH1A1 (0.43) ALDH1A1UBE2MDCUN1D1MAPTLMNA
SCHEMBL4692075 0.86 MAPT (0.43) ALDH1A1UBE2MDCUN1D1MAPTLMNA
SCHEMBL4690845 0.86 NPY2R (0.46) ALDH1A1UBE2MDCUN1D1MAPTLMNA
SCHEMBL4693588 0.85 UBE2M (0.46) KDM1AFASNALDH1A1UBE2MDCUN1D1
SCHEMBL4695196 0.84 MAPT (0.43) ALDH1A1MAPTGAAHTTSMN1; SMN2

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