SCHEMBL4690845

SCHEMBL4690845

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.46
EPHX2 P34913 3/20 0.44
PRKAB2 O43741 4/20 0.43
PRKAG1 P54619 4/20 0.43
PRKAA2 P54646 4/20 0.43
PRKAA1 Q13131 4/20 0.43
PRKAG3 Q9UGI9 4/20 0.43
PRKAG2 Q9UGJ0 4/20 0.43
PRKAB1 Q9Y478 4/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
ALDH1A1 P00352 4/20 0.41
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
SIGMAR1 Q99720 1/20 0.40
AGTR1 P30556 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL4694155 0.90 NPY2R (0.48) NPY2RALDH1A1MAPTLMNAHTT
SCHEMBL4691224 0.90 UBE2M (0.45) UBE2MDCUN1D1ALDH1A1MAPTLMNA
SCHEMBL4695974 0.90 ALDH1A1 (0.43) UBE2MDCUN1D1ALDH1A1MAPTLMNA
SCHEMBL4695756 0.89 RHOA (0.41) NPY2RUBE2MDCUN1D1ALDH1A1MAPT
SCHEMBL4691640 0.89 MAPT (0.54) UBE2MDCUN1D1ALDH1A1MAPTLMNA
SCHEMBL4691883 0.88 BRAF (0.41) EPHX2UBE2MDCUN1D1ALDH1A1MAPT
SCHEMBL4691230 0.88 UBE2M (0.40) UBE2MDCUN1D1ALDH1A1MAPTLMNA
SCHEMBL4689521 0.87 MAPT (0.57) UBE2MDCUN1D1ALDH1A1MAPTLMNA
SCHEMBL4692075 0.87 MAPT (0.43) UBE2MDCUN1D1ALDH1A1MAPTLMNA
SCHEMBL4690537 0.87 ALDH1A1 (0.43) UBE2MDCUN1D1ALDH1A1MAPTLMNA

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