SCHEMBL17028080

SCHEMBL17028080

O=C(NC1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ncccc1C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00

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
SCHEMBL17007240 1.00 HCRTR1 (1.00) HCRTR1
SCHEMBL17007331 0.87 HCRTR1 (1.00) HCRTR1
SCHEMBL17028081 0.87 HCRTR1 (1.00) HCRTR1
SCHEMBL20516497 0.87 HCRTR1 (1.00) HCRTR1
SCHEMBL17017417 0.85 HCRTR1 (0.74) HCRTR1
SCHEMBL17007223 0.84 HCRTR1 (1.00) HCRTR1
SCHEMBL17007222 0.83 HCRTR1 (1.00) HCRTR1
SCHEMBL17007130 0.82 HCRTR1 (1.00) HCRTR1
SCHEMBL17028072 0.82 HCRTR1 (1.00) HCRTR1
SCHEMBL17007346 0.82 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 4 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
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