SCHEMBL19256413

SCHEMBL19256413

Cc1ccc(C#CC2CC2)c(C(=O)N2CC(F)(F)CC(C)C2CNc2ncc(C(F)(F)F)cn2)n1

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
SCHEMBL23639328 1.00 HCRTR1 (1.00) HCRTR1
SCHEMBL19207021 1.00 HCRTR1 (1.00) HCRTR1
SCHEMBL19256432 0.92 HCRTR1 (1.00) HCRTR1
SCHEMBL24381217 0.92 HCRTR1 (1.00) HCRTR1
SCHEMBL19256404 0.92 HCRTR1 (1.00) HCRTR1
SCHEMBL19256487 0.89 HCRTR1 (0.84) HCRTR1
SCHEMBL19256426 0.89 HCRTR1 (0.84) HCRTR1
SCHEMBL19256400 0.89 HCRTR1 (0.84) HCRTR1
SCHEMBL24381292 0.85 HCRTR1 (0.77) HCRTR1
SCHEMBL19207046 0.85 HCRTR1 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 WO disclosed