SCHEMBL4694845

SCHEMBL4694845

Cc1ccc(C(CC(N)=O)N2CC3CN(C(=O)c4cc5ccccc5nc4C)CC3C2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.37
HCRTR2 O43614 17/20 0.37
TNF P01375 1/20 0.37
GBA1 P04062 1/20 0.34

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
SCHEMBL4693800 0.87 RAB9A (0.43) HCRTR1HCRTR2TNF
SCHEMBL4692886 0.86 ALDH1A1 (0.42) HCRTR1HCRTR2TNFGBA1
SCHEMBL4690542 0.83 HCRTR1 (0.39) HCRTR1HCRTR2TNF
SCHEMBL4693712 0.83 HCRTR1 (0.52) HCRTR1HCRTR2TNF
SCHEMBL4691904 0.83 HCRTR1 (0.46) HCRTR1HCRTR2TNF
SCHEMBL4694224 0.83 TNF (0.39) HCRTR1HCRTR2TNFGBA1
SCHEMBL4693484 0.83 HCRTR1 (0.48) HCRTR1HCRTR2TNFGBA1
SCHEMBL4691868 0.82 HCRTR1 (0.47) HCRTR1HCRTR2TNFGBA1
SCHEMBL4694354 0.82 P2RX7 (0.44) HCRTR1HCRTR2TNF
SCHEMBL4695935 0.82 HCRTR2 (0.47) HCRTR1HCRTR2TNF

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