SCHEMBL20145080

SCHEMBL20145080

O=C(c1ccccc1-n1nccn1)N1CCCC(Oc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.70
HCRTR1 O43613 12/20 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
SCHEMBL20145242 1.00 HCRTR2 (0.70) HCRTR2HCRTR1
SCHEMBL20144898 0.89 HCRTR2 (0.68) HCRTR2HCRTR1
SCHEMBL20145285 0.89 HCRTR2 (0.68) HCRTR2HCRTR1
SCHEMBL20144758 0.89 HCRTR1 (0.69) HCRTR2HCRTR1
SCHEMBL20144769 0.89 HCRTR1 (0.62) HCRTR2HCRTR1
SCHEMBL20145275 0.88 HCRTR2 (0.69) HCRTR2HCRTR1
SCHEMBL20145119 0.88 HCRTR1 (0.70) HCRTR2HCRTR1
SCHEMBL20144973 0.88 HCRTR1 (0.70) HCRTR2HCRTR1
SCHEMBL20144805 0.88 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL18697756 0.88 HCRTR1 (0.68) 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