SCHEMBL5237249

SCHEMBL5237249

CCOc1cc(C)c(C(=O)N2CC3CN(c4cccc(CCC(N)=O)c4)CC3C2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.46
HCRTR2 O43614 17/20 0.46
MAPT P10636 1/20 0.37
ACACB O00763 2/20 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
SCHEMBL5320390 0.92 HCRTR1 (0.40) HCRTR1HCRTR2ACACB
SCHEMBL5238954 0.91 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL4692413 0.88 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL5237741 0.87 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL5234579 0.84 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL5231170 0.83 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL5236364 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4968486 0.83 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL5231862 0.83 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL5235800 0.82 HCRTR1 (0.44) HCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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