SCHEMBL20145047

SCHEMBL20145047

Cc1cnc(C(=O)N2CCCC(Oc3ccc(C(F)(F)F)cn3)C2)c(-c2ncccn2)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.66
HCRTR2 O43614 4/20 0.58

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
SCHEMBL18697752 1.00 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL18697848 0.89 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20144950 0.89 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20145019 0.87 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL20144876 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145062 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697838 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145003 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144964 0.86 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697667 0.86 HCRTR1 (0.67) 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