SCHEMBL20144898

SCHEMBL20144898

O=C(c1ccccc1-n1nccn1)N1CCCC(Oc2ncc(C(F)(F)F)cn2)C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.68
HCRTR1 O43613 16/20 0.68

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
SCHEMBL20145285 1.00 HCRTR2 (0.68) HCRTR2HCRTR1
SCHEMBL20145242 0.89 HCRTR2 (0.70) HCRTR2HCRTR1
SCHEMBL20145080 0.89 HCRTR2 (0.70) HCRTR2HCRTR1
SCHEMBL20144934 0.88 HCRTR1 (0.70) HCRTR2HCRTR1
SCHEMBL18697751 0.87 HCRTR1 (0.69) HCRTR2HCRTR1
SCHEMBL20144978 0.87 HCRTR1 (0.69) HCRTR2HCRTR1
SCHEMBL20144753 0.86 HCRTR1 (0.57) HCRTR2HCRTR1
SCHEMBL18697840 0.86 HCRTR1 (0.57) HCRTR2HCRTR1
SCHEMBL20144931 0.86 HCRTR1 (0.55) HCRTR2HCRTR1
SCHEMBL20144765 0.86 HCRTR1 (0.60) HCRTR2HCRTR1

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