SCHEMBL20144772

SCHEMBL20144772

O=C(c1ccc(F)cc1-c1ncco1)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.70
HCRTR2 O43614 10/20 0.51

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 0.91 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL20145086 0.91 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL18697665 0.90 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL20144984 0.90 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL20144885 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144777 0.85 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL18697646 0.85 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL16149101 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144849 0.82 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL18697650 0.82 HCRTR1 (0.71) 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