SCHEMBL20145062

SCHEMBL20145062

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

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.70
HCRTR2 O43614 1/20 0.52
LIPG Q9Y5X9 1/20 0.47

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
SCHEMBL18697838 1.00 HCRTR1 (0.70) HCRTR1HCRTR2LIPG
SCHEMBL20145204 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20144792 0.87 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL20145099 0.87 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL18697845 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144940 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL18697752 0.87 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL20145047 0.87 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL18697578 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20145093 0.86 HCRTR1 (0.54) 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