SCHEMBL17028090

SCHEMBL17028090

CCOc1ccc(C)cc1C(=O)NC1CCCC1Nc1cnc(C(F)(F)F)cn1

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
SCHEMBL17007110 1.00 HCRTR1 (1.00) HCRTR1
SCHEMBL17028088 1.00 HCRTR1 (1.00) HCRTR1
SCHEMBL17028040 0.92 HCRTR1 (1.00) HCRTR1
SCHEMBL20516494 0.92 HCRTR1 (1.00) HCRTR1
SCHEMBL17007326 0.92 HCRTR1 (1.00) HCRTR1
SCHEMBL17017387 0.88 HCRTR1 (0.79) HCRTR1
SCHEMBL20516560 0.84 HCRTR1 (0.83) HCRTR1
SCHEMBL17007325 0.83 HCRTR1 (1.00) HCRTR1
SCHEMBL22131263 0.81 HCRTR1 (1.00) HCRTR1
SCHEMBL17007280 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