SCHEMBL17028060

SCHEMBL17028060

COc1cccc(OC)c1C(=O)NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)cn1

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 8/20 0.72

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
SCHEMBL22131253 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007187 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL22131262 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007254 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17028063 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17017363 0.87 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL17007351 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007295 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007163 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17017391 0.78 HCRTR1 (0.75) 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 disclosed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO disclosed