SCHEMBL4696048

SCHEMBL4696048

Cc1ccc(NCCCN2CC3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)CC3C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 14/20 0.48
PROKR1 Q8TCW9 14/20 0.48
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
MCL1 Q07820 1/20 0.40
POLB P06746 1/20 0.39
HTR6 P50406 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
SCHEMBL4694306 0.92 FPR2 (0.56) FPR2PROKR1
SCHEMBL4692449 0.85 ALDH1A1 (0.46) GAAMAPT
SCHEMBL4695297 0.84 LMNA (0.50) GAAMAPTPOLB
SCHEMBL4696047 0.83 FPR2 (0.47) FPR2PROKR1GAA
SCHEMBL3283683 0.81 MAPT (0.47) GAAMAPTHTR6
SCHEMBL13326676 0.80 ALDH1A1 (0.41) GAAMAPT
SCHEMBL4694268 0.79 POLB (0.45) FPR2PROKR1GAAMAPTPOLB
SCHEMBL3283552 0.78 CCR1 (0.42) GAAMAPTHTR6
SCHEMBL4693295 0.78 ALDH1A1 (0.48) GAAMAPT
SCHEMBL4695196 0.77 MAPT (0.43) GAAMAPTPOLB

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