SCHEMBL20145096

SCHEMBL20145096

O=C(c1cccc(F)c1-c1ncccn1)N1CCCC(Oc2nc3ccccc3o2)C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.56
HCRTR2 O43614 16/20 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
SCHEMBL20145125 1.00 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20144941 0.85 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL20145100 0.85 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL16030747 0.82 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144924 0.81 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145243 0.80 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL20144845 0.80 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL20144757 0.79 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL20144766 0.78 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL19315595 0.77 HCRTR1 (0.57) 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