SCHEMBL27883281

SCHEMBL27883281

CCOc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.74
HCRTR2 O43614 20/20 0.74

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
SCHEMBL1673034 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671991 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL27883196 0.81 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1673109 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13735649 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13736598 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6924652 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671549 0.76 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671476 0.74 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13733561 0.74 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