SCHEMBL4695280

SCHEMBL4695280

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccc5[nH]ccc5c4)CC3C2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
LMNA P02545 2/20 0.42
CCR3 P51677 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ACHE P22303 1/20 0.41
HTR4 Q13639 1/20 0.41
NR4A2 P43354 2/20 0.41
BRAF P15056 1/20 0.40
HTR1A P08908 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NUDT15 Q9NV35 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 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
SCHEMBL4695277 0.86 MAOB (0.48) MAPK14DRD2DRD3LMNACCR3
SCHEMBL4691224 0.84 UBE2M (0.45) LMNACCR3ALDH1A1GAAMAPT
SCHEMBL4691640 0.83 MAPT (0.54) LMNAALDH1A1GAAMAPTHTT
SCHEMBL4693100 0.82 ALDH1A1 (0.41) LMNAALDH1A1GAAMAPTHTT
SCHEMBL4694532 0.82 DRD3 (0.53) DRD2DRD3
SCHEMBL4695974 0.82 ALDH1A1 (0.43) LMNAALDH1A1GAAMAPTHTT
SCHEMBL4690845 0.81 NPY2R (0.46) LMNAALDH1A1GAAMAPTHTT
SCHEMBL4692075 0.81 MAPT (0.43) DRD2DRD3LMNACCR3HTR1A
SCHEMBL4690537 0.81 ALDH1A1 (0.43) LMNACCR3ALDH1A1GAAMAPT
SCHEMBL4689521 0.81 MAPT (0.57) DRD2DRD3LMNAALDH1A1MAPT

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