SCHEMBL17028221

SCHEMBL17028221

O=C(NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1-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 1/20 0.64

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
SCHEMBL17007333 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17028155 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007335 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007118 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007129 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007214 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17028157 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17017457 0.86 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL17021494 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007229 0.85 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