SCHEMBL19256804

SCHEMBL19256804

Cc1ccnc(-c2cn(C)nc2C(=O)N2CC(F)(F)CC(C)C2CNc2ncc(C(F)(F)F)cn2)c1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.86

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
SCHEMBL19256779 1.00 HCRTR1 (0.86) HCRTR1
SCHEMBL20989635 1.00 HCRTR1 (0.86) HCRTR1
SCHEMBL19207036 0.93 HCRTR1 (1.00) HCRTR1
SCHEMBL19256428 0.93 HCRTR1 (1.00) HCRTR1
SCHEMBL20989646 0.93 HCRTR1 (1.00) HCRTR1
SCHEMBL20989652 0.92 HCRTR1 (0.83) HCRTR1
SCHEMBL19256067 0.92 HCRTR1 (0.83) HCRTR1
SCHEMBL19207056 0.92 HCRTR1 (0.83) HCRTR1
SCHEMBL23639340 0.90 HCRTR1 (1.00) HCRTR1
SCHEMBL19256781 0.90 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 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