SCHEMBL20145086

SCHEMBL20145086

O=C(c1ccc(F)cc1-c1ncco1)N1CCCC(Nc2ncc(C(F)(F)F)cn2)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.60
HCRTR2 O43614 9/20 0.48
GFER P55789 1/20 0.44
GAA P10253 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
SCHEMBL20145140 1.00 HCRTR1 (0.60) HCRTR1HCRTR2GFERGAA
SCHEMBL20144772 0.91 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144926 0.86 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144984 0.85 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL18697665 0.85 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL20145089 0.85 HCRTR1 (0.62) HCRTR1HCRTR2GFER
SCHEMBL20144963 0.85 HCRTR1 (0.62) HCRTR1HCRTR2GFER
SCHEMBL16148242 0.82 HCRTR1 (0.84) HCRTR1HCRTR2
SCHEMBL20145061 0.81 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144780 0.81 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