SCHEMBL17028050

SCHEMBL17028050

C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCCC1NC(=O)c1ncccc1-c1ncccn1

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 4/20 0.74

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
SCHEMBL17007099 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007185 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17028067 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007233 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007198 0.87 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007273 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007136 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007199 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007162 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17028137 0.83 HCRTR1 (1.00) 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