SCHEMBL20145153

SCHEMBL20145153

O=C(c1ccc(F)cc1-n1nc[nH]1)N1CCC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.54
HCRTR2 O43614 7/20 0.49
LIPG Q9Y5X9 1/20 0.49
LIPE Q05469 1/20 0.47
HSD11B1 P28845 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL20144758 0.88 HCRTR1 (0.69) HCRTR1HCRTR2LIPG
SCHEMBL20144836 0.82 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL18697785 0.82 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144936 0.80 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL18697847 0.80 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144973 0.79 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145119 0.79 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145080 0.79 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL20145242 0.79 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL18697789 0.76 HCRTR1 (0.68) 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
EP-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed