SCHEMBL17028129

SCHEMBL17028129

O=C(NC1CCC[C@@H]1Nc1cnc(Cl)cn1)c1ccccc1-n1nccn1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.76

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
SCHEMBL17007370 1.00 HCRTR1 (0.76) HCRTR1
SCHEMBL17017344 1.00 HCRTR1 (0.76) HCRTR1
SCHEMBL17017377 0.88 HCRTR1 (0.78) HCRTR1
SCHEMBL17166369 0.88 HCRTR1 (0.78) HCRTR1
SCHEMBL17028139 0.88 HCRTR1 (0.81) HCRTR1
SCHEMBL17007363 0.88 HCRTR1 (0.81) HCRTR1
SCHEMBL17017343 0.88 HCRTR1 (0.81) HCRTR1
SCHEMBL17007128 0.87 HCRTR1 (1.00) HCRTR1
SCHEMBL17028105 0.87 HCRTR1 (1.00) HCRTR1
SCHEMBL17017368 0.86 HCRTR1 (1.00) HCRTR1

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-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP disclosed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO disclosed