SCHEMBL5229090

SCHEMBL5229090

CS(=O)(=O)c1ccccc1C(=O)N1CC2CN(c3cccc(CCC(N)=O)c3)CC2C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HCRTR1 O43613 14/20 0.39
HCRTR2 O43614 14/20 0.39
EED O75530 1/20 0.39
SLC9A1 P19634 1/20 0.38
CACNA1B Q00975 2/20 0.37
PLA2G10 O15496 1/20 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
SCHEMBL5231927 0.84 CYP2C9 (0.42) HCRTR1HCRTR2
SCHEMBL5237286 0.83 LMNA (0.43) LMNASLC9A1
SCHEMBL5237813 0.83 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL5239352 0.83 HCRTR1 (0.55) HCRTR1HCRTR2PLA2G10
SCHEMBL5238002 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL5231911 0.82 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL5232788 0.81 CHRNB2 (0.44) LMNAPLA2G10
SCHEMBL4809142 0.81 HCRTR1 (0.41) HCRTR1HCRTR2PLA2G10
SCHEMBL5237460 0.80 PLA2G10 (0.39) PLA2G10
SCHEMBL4692413 0.80 HCRTR1 (0.53) HCRTR1HCRTR2PLA2G10

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