SCHEMBL19256786

SCHEMBL19256786

CC1CC(F)(F)CN(C(=O)c2nn(C)cc2-c2ccc(F)cn2)C1CNc1ncc(C(F)(F)F)cn1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.86
HCRTR2 O43614 1/20 0.75

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
SCHEMBL19256773 1.00 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL20989751 1.00 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL24380888 0.93 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20989915 0.93 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256616 0.93 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19207164 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256668 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL23639359 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256615 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256598 0.91 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