SCHEMBL17656330

SCHEMBL17656330

COc1cc(O)nc(N2CC3CN(C(=O)c4cc(C)ccc4-n4nccn4)CC3C2)n1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.91
HCRTR1 O43613 19/20 0.91
KCNH2 Q12809 1/20 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
SCHEMBL1671364 0.95 HCRTR2 (1.00) HCRTR2HCRTR1KCNH2
SCHEMBL27883278 0.85 HCRTR2 (0.78) HCRTR2HCRTR1KCNH2
SCHEMBL1671102 0.85 HCRTR2 (1.00) HCRTR2HCRTR1KCNH2
SCHEMBL1673082 0.84 HCRTR1 (1.00) HCRTR2HCRTR1KCNH2
SCHEMBL1673037 0.84 HCRTR1 (1.00) HCRTR2HCRTR1KCNH2
SCHEMBL18912825 0.80 HCRTR2 (0.69) HCRTR2HCRTR1KCNH2
SCHEMBL1671252 0.80 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL18910764 0.79 HCRTR2 (0.71) HCRTR2HCRTR1KCNH2
SCHEMBL18910848 0.79 HCRTR2 (0.79) HCRTR2HCRTR1KCNH2
SCHEMBL1671407 0.79 HCRTR1 (1.00) HCRTR2HCRTR1KCNH2

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-3093291-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-11-16 EP disclosed
EP-2491038-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-06 EP disclosed