SCHEMBL4694167

SCHEMBL4694167

Cc1ccc(NCCCN2CC3CN(C(=O)c4cccc(F)c4F)CC3C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.48
HCRTR2 O43614 5/20 0.48
GAA P10253 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CHRNA7 P36544 3/20 0.39
KCNH2 Q12809 3/20 0.39
CCR5 P51681 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.37
NPY2R P49146 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
SCHEMBL4692218 0.94 CCR5 (0.42) HCRTR1HCRTR2GAAMAPTP2RX7
SCHEMBL4694387 0.93 GAA (0.41) HCRTR1HCRTR2GAAMAPTMEN1
SCHEMBL4695648 0.93 HCRTR1 (0.48) HCRTR1HCRTR2GAAMAPTMEN1
SCHEMBL4691905 0.93 HCRTR1 (0.47) HCRTR1HCRTR2GAAMAPTMEN1
SCHEMBL4694970 0.92 LMNA (0.40) HCRTR1HCRTR2GAAMAPTHPGD
SCHEMBL4691764 0.90 CCR5 (0.42) HCRTR1HCRTR2GAAMAPTALDH1A1
SCHEMBL4694791 0.90 MAPT (0.47) HCRTR1HCRTR2GAAMAPTALDH1A1
SCHEMBL4691185 0.90 P2RX7 (0.43) HCRTR1HCRTR2MAPTP2RX7ALDH1A1
SCHEMBL4694356 0.89 P2RX7 (0.43) GAAMAPTP2RX7ALDH1A1CCR5
SCHEMBL4691872 0.89 HCRTR1 (0.47) HCRTR1HCRTR2GAAMAPTALDH1A1

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