SCHEMBL19256664

SCHEMBL19256664

Cc1cnc(-c2cn(C)nc2C(=O)N2CC(F)(F)CC(C)C2CNc2ncc(C(F)(F)F)cn2)nc1

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 0.76

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
SCHEMBL19207091 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL23639248 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256466 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20989647 0.97 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19206995 0.97 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL23639249 0.97 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256667 0.97 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL23639393 0.94 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256463 0.94 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19207175 0.94 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 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