SCHEMBL17028075

SCHEMBL17028075

O=C(NC1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1C(F)(F)F

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
SCHEMBL22099730 1.00 HCRTR1 (1.00) HCRTR1
SCHEMBL17007316 1.00 HCRTR1 (1.00) HCRTR1
SCHEMBL17017416 0.89 HCRTR1 (0.80) HCRTR1
SCHEMBL17007169 0.86 HCRTR1 (1.00) HCRTR1
SCHEMBL17007334 0.85 HCRTR1 (1.00) HCRTR1
SCHEMBL17021495 0.83 HCRTR1 (1.00) HCRTR1
SCHEMBL17021450 0.83 HCRTR1 (1.00) HCRTR1
SCHEMBL17007360 0.83 HCRTR1 (1.00) HCRTR1
SCHEMBL17028133 0.81 HCRTR1 (1.00) HCRTR1
SCHEMBL17007279 0.81 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