SCHEMBL4691491

SCHEMBL4691491

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.50
PROKR1 Q8TCW9 16/20 0.50
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4691597 0.89 FPR2 (0.47) FPR2PROKR1ALDH1A1
SCHEMBL4695050 0.81 TSHR (0.53) ALDH1A1
SCHEMBL4689791 0.81 EPHX2 (0.49) ALDH1A1NPSR1
SCHEMBL4692842 0.78 GBA1 (0.43) ALDH1A1
SCHEMBL4694247 0.75 DRD2 (0.36) ALDH1A1
SCHEMBL3282872 0.75 DRD2 (0.36) ALDH1A1
SCHEMBL4691654 0.72 PKM (0.49) ALDH1A1
SCHEMBL4695378 0.72 CCL5 (0.52)
SCHEMBL3282848 0.71 GRIN2B (0.51)
SCHEMBL4694987 0.71 GRIN2B (0.51)

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