SCHEMBL5236236

SCHEMBL5236236

NC(=O)CCc1cccc(N2CC3CN(C(=O)c4cccnc4Br)CC3C2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 20/20 0.55

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 0.89 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL5233541 0.86 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL5231927 0.82 CYP2C9 (0.42) HCRTR1HCRTR2
SCHEMBL5239352 0.81 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL5237813 0.80 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL5231911 0.80 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL5232788 0.79 CHRNB2 (0.44)
SCHEMBL5229090 0.79 LMNA (0.45) HCRTR1HCRTR2
SCHEMBL5236364 0.78 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4968486 0.78 HCRTR1 (0.42) 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