SCHEMBL20145233

SCHEMBL20145233

Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)CC2)c(-n2nccn2)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.70
HCRTR2 O43614 9/20 0.70

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
SCHEMBL20144934 0.93 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144765 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL20145119 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144973 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL16031650 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144898 0.80 HCRTR2 (0.68) HCRTR1HCRTR2
SCHEMBL20145285 0.80 HCRTR2 (0.68) HCRTR1HCRTR2
SCHEMBL20144865 0.80 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144982 0.79 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144905 0.79 HCRTR1 (0.57) 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