SCHEMBL4690549

SCHEMBL4690549

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CCR5 P51681 7/20 0.38
AGTR1 P30556 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 2/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4692075 0.90 MAPT (0.43) UBE2MDCUN1D1ALDH1A1MAPTGAA
SCHEMBL4690541 0.86 TP53 (0.46) UBE2MDCUN1D1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4691224 0.86 UBE2M (0.45) UBE2MDCUN1D1ALDH1A1MAPTGAA
SCHEMBL4691640 0.85 MAPT (0.54) UBE2MDCUN1D1ALDH1A1MAPTGAA
SCHEMBL4695974 0.84 ALDH1A1 (0.43) UBE2MDCUN1D1ALDH1A1MAPTGAA
SCHEMBL4690537 0.83 ALDH1A1 (0.43) UBE2MDCUN1D1ALDH1A1MAPTGAA
SCHEMBL4690845 0.83 NPY2R (0.46) UBE2MDCUN1D1ALDH1A1MAPTGAA
SCHEMBL4689521 0.83 MAPT (0.57) UBE2MDCUN1D1ALDH1A1MAPTLMNA
SCHEMBL4695952 0.83 MAPT (0.43) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL4693591 0.82 KDM1A (0.44) UBE2MDCUN1D1ALDH1A1MAPTGAA

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