SCHEMBL17028131

SCHEMBL17028131

C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCCC1NC(=O)c1c(Cl)cccc1-n1nccn1

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 5/20 0.76

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
SCHEMBL17007095 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17017443 0.90 HCRTR1 (0.81) HCRTR1HCRTR2
SCHEMBL18607847 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007161 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007186 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007269 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18607504 0.86 HCRTR1 (0.88) HCRTR1HCRTR2
SCHEMBL17007199 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007338 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007449 0.83 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