SCHEMBL4694023

SCHEMBL4694023

Cc1ccc(C(CC(N)=O)N2CC3CN(C(=O)c4cccc(C(F)(F)F)c4Cl)CC3C2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 20/20 0.47

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
SCHEMBL4693016 0.93 MGLL (0.39) P2RX7
SCHEMBL4691180 0.92 P2RX7 (0.43) P2RX7
SCHEMBL4694354 0.89 P2RX7 (0.44) P2RX7
SCHEMBL4694241 0.87 HCRTR1 (0.39) P2RX7
SCHEMBL4693169 0.86 HCRTR1 (0.50) P2RX7
SCHEMBL4692106 0.86 HCRTR1 (0.50) P2RX7
SCHEMBL4691868 0.86 HCRTR1 (0.47) P2RX7
SCHEMBL4692886 0.86 ALDH1A1 (0.42) —
SCHEMBL4694165 0.85 HCRTR1 (0.48) P2RX7
SCHEMBL4695647 0.85 HCRTR1 (0.48) —

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
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