SCHEMBL4694758

SCHEMBL4694758

Cc1ccc(NCCCN2CC3CN(C(=O)c4c(F)ccc(C)c4F)CC3C2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
CCR5 P51681 7/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL4693310 0.93 CCR5 (0.42) MAPTGAACCR5LMNAALDH1A1
SCHEMBL4695514 0.93 MAPT (0.40) MAPTGAACCR5LMNAALDH1A1
SCHEMBL4694791 0.91 MAPT (0.47) MAPTGAACCR5LMNAALDH1A1
SCHEMBL4691999 0.90 MAPT (0.51) MAPTGAACCR5ALDH1A1HCRTR1
SCHEMBL4694816 0.90 CCR5 (0.44) MAPTGAACCR5LMNAALDH1A1
SCHEMBL4694970 0.88 LMNA (0.40) MAPTGAALMNAALDH1A1RAB9A
SCHEMBL4694337 0.87 CCR5 (0.43) MAPTGAACCR5LMNAALDH1A1
SCHEMBL3281865 0.87 CCR5 (0.52) MAPTGAACCR5LMNAALDH1A1
SCHEMBL4690404 0.87 CCR5 (0.41) MAPTGAACCR5LMNAALDH1A1
SCHEMBL4695365 0.86 BRAF (0.39) MAPTGAACCR5LMNAALDH1A1

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