SCHEMBL20144945

SCHEMBL20144945

Cc1ccc(C(=O)N2CCCC(Oc3ncc(C(F)(F)F)cc3F)C2)c(-n2nccn2)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.57
HCRTR2 O43614 7/20 0.54

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
SCHEMBL18697579 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL20145091 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20144953 0.88 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145035 0.88 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144854 0.87 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL20144900 0.86 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697670 0.86 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144891 0.84 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL18697751 0.84 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144978 0.84 HCRTR1 (0.69) 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