SCHEMBL18912802

SCHEMBL18912802

Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4ncc(-c5ccccc5C(N)=O)cn4)CC3C2)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.66
HCRTR1 O43613 18/20 0.66

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
SCHEMBL18912804 0.90 HCRTR1 (0.64) HCRTR2HCRTR1
SCHEMBL18912834 0.86 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL18912857 0.85 HCRTR2 (0.63) HCRTR2HCRTR1
SCHEMBL18912801 0.83 HCRTR2 (0.73) HCRTR2HCRTR1
SCHEMBL18912806 0.82 HCRTR2 (0.68) HCRTR2HCRTR1
SCHEMBL18912821 0.82 HCRTR2 (0.76) HCRTR2HCRTR1
SCHEMBL18912819 0.81 HCRTR1 (0.72) HCRTR2HCRTR1
SCHEMBL18912825 0.81 HCRTR2 (0.69) HCRTR2HCRTR1
SCHEMBL6924756 0.80 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL18912928 0.79 HCRTR2 (0.45) 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
WO-2017088731-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND USE THEREOF 广东东阳光药业有限公司 2017-06-01 WO disclosed