SCHEMBL28802191

SCHEMBL28802191

COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.77
HCRTR1 O43613 19/20 0.77

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
SCHEMBL27900601 0.88 HCRTR1 (0.75) HCRTR2HCRTR1
SCHEMBL1673126 0.87 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL27900619 0.78 HCRTR1 (0.77) HCRTR2HCRTR1
SCHEMBL1671264 0.78 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL27883278 0.77 HCRTR2 (0.78) HCRTR2HCRTR1
SCHEMBL5791691 0.76 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL27883296 0.76 HCRTR1 (0.78) HCRTR2HCRTR1
SCHEMBL1672089 0.76 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL1672062 0.74 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL1673037 0.74 HCRTR1 (1.00) HCRTR2HCRTR1

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