SCHEMBL17028077

SCHEMBL17028077

O=C(NC1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1)c1ccccc1-c1ncccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 2/20 0.64

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
SCHEMBL17021483 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007288 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007393 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17021484 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17028132 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007334 0.87 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007308 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17017371 0.84 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL17007173 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17166366 0.84 HCRTR1 (0.72) 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 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 claimed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO claimed