SCHEMBL5233541

SCHEMBL5233541

COc1ncccc1C(=O)N1CC2CN(c3cccc(CCC(N)=O)c3)CC2C1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.50
HCRTR2 O43614 20/20 0.50

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
SCHEMBL5238002 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL5236236 0.86 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL5237120 0.81 HCRTR2 (0.42) HCRTR1HCRTR2
SCHEMBL5239352 0.81 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL5231927 0.80 CYP2C9 (0.42) HCRTR1HCRTR2
SCHEMBL5231911 0.79 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL5237813 0.79 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL4698184 0.79 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL5238954 0.79 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL5229090 0.79 LMNA (0.45) 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