SCHEMBL4691597

SCHEMBL4691597

Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC2CN(CC[C@H](N)c3ccccc3)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.47
PROKR1 Q8TCW9 12/20 0.47
GAA P10253 1/20 0.39
ACLY P53396 2/20 0.38
CCL5 P13501 4/20 0.38
CCR5 P51681 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4691491 0.89 FPR2 (0.50) FPR2PROKR1ALDH1A1
SCHEMBL4695050 0.80 TSHR (0.53) CCR5ALDH1A1
SCHEMBL4689791 0.79 EPHX2 (0.49) CCR5ALDH1A1
SCHEMBL4692842 0.76 GBA1 (0.43) GAACCR5ALDH1A1
SCHEMBL4691807 0.74 CCR5 (0.46) FPR2PROKR1CCR5
SCHEMBL3282848 0.72 GRIN2B (0.51)
SCHEMBL4694987 0.72 GRIN2B (0.51)
SCHEMBL3282872 0.72 DRD2 (0.36) CCL5CCR5ALDH1A1
SCHEMBL4694247 0.72 DRD2 (0.36) CCL5CCR5ALDH1A1
SCHEMBL15548819 0.71 FPR2 (0.83) FPR2PROKR1ALDH1A1

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