SCHEMBL5234877

SCHEMBL5234877

Cc1oc(-c2ccccc2)cc1C(=O)N1CC2CN(c3cccc(CCC(N)=O)c3)CC2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.39
HCRTR1 O43613 14/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5230484 0.81 HCRTR1 (0.44) HCRTR2HCRTR1
SCHEMBL5229641 0.81 LMNA (0.53) HCRTR2HCRTR1MEN1KMT2ALMNA
SCHEMBL5232788 0.81 CHRNB2 (0.44) MEN1KMT2ALMNATSHR
SCHEMBL5239352 0.80 HCRTR1 (0.55) HCRTR2HCRTR1
SCHEMBL5234333 0.79 HCRTR1 (0.41) HCRTR2HCRTR1
SCHEMBL5231927 0.79 CYP2C9 (0.42) HCRTR2HCRTR1
SCHEMBL4692413 0.79 HCRTR1 (0.53) HCRTR2HCRTR1
SCHEMBL5231911 0.79 HCRTR1 (0.57) HCRTR2HCRTR1
SCHEMBL5237813 0.79 HCRTR1 (0.39) HCRTR2HCRTR1MEN1KMT2ATSHR
SCHEMBL4699432 0.78 CCL5 (0.44) HCRTR2HCRTR1MEN1KMT2ALMNA

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