SCHEMBL27883196

SCHEMBL27883196

CCOc1ccc(C(=O)N2CC3CN(c4nccc(OC)n4)CC3C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.69
HCRTR2 O43614 20/20 0.69

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
SCHEMBL1671591 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL27883281 0.81 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL1672166 0.78 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1671226 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18231409 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673050 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671630 0.75 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671360 0.74 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL6923172 0.73 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL30854329 0.73 HCRTR1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781942-A Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2012-11-14 CN claimed