SCHEMBL17028133

SCHEMBL17028133

O=C(NC1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1-n1cccn1

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
SCHEMBL17007279 1.00 HCRTR1 (1.00) HCRTR1
SCHEMBL17007341 0.89 HCRTR1 (1.00) HCRTR1
SCHEMBL17028122 0.89 HCRTR1 (1.00) HCRTR1
SCHEMBL17007304 0.89 HCRTR1 (1.00) HCRTR1
SCHEMBL17007111 0.89 HCRTR1 (1.00) HCRTR1
SCHEMBL17007290 0.88 HCRTR1 (1.00) HCRTR1
SCHEMBL22099731 0.88 HCRTR1 (1.00) HCRTR1
SCHEMBL17007103 0.88 HCRTR1 (1.00) HCRTR1
SCHEMBL22099729 0.88 HCRTR1 (1.00) HCRTR1
SCHEMBL17021452 0.88 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 claimed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO claimed