SCHEMBL19256069

SCHEMBL19256069

C[C@@H]1CC(F)(F)CN(C(=O)OCc2ccccc2)[C@@H]1CNc1ncc(C(F)(F)F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.60
HCRTR2 O43614 1/20 0.49

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
SCHEMBL29561078 1.00 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL19256522 0.88 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL24381136 0.88 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL19256481 0.87 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL29560568 0.87 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL28657975 0.86 HCRTR1 (0.67) HCRTR1
SCHEMBL19207041 0.86 HCRTR1 (0.67) HCRTR1
SCHEMBL19256712 0.82 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL29561069 0.82 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL29561362 0.79 HCRTR1 (0.64) 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