SCHEMBL20144924

SCHEMBL20144924

O=C(c1cccc(F)c1-c1ncccn1)N1CCCC(Nc2nc3ccccc3o2)C1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.69
HCRTR2 O43614 13/20 0.63
OPRK1 P41145 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
SCHEMBL20145005 0.84 HCRTR1 (0.69) HCRTR1HCRTR2OPRK1
SCHEMBL18697666 0.84 HCRTR1 (0.69) HCRTR1HCRTR2OPRK1
SCHEMBL16155410 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17506058 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20145125 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20145096 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20144833 0.80 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20145121 0.78 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144890 0.78 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL17510814 0.77 HCRTR1 (1.00) 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