SCHEMBL20145253

SCHEMBL20145253

Cc1cnc(-n2nccn2)c(C(=O)N2CCCC(Oc3ncc(C(F)(F)F)cc3C)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.61
HCRTR2 O43614 4/20 0.50

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
SCHEMBL20145035 0.93 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144953 0.93 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145266 0.93 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL20144785 0.93 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL20144905 0.90 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL20144925 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145204 0.85 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL18697658 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144955 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697579 0.81 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