SCHEMBL20144925

SCHEMBL20144925

Cc1cnc(-n2nccn2)c(C(=O)N2CCCC(Oc3ccc(C(F)(F)F)cn3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.70
HCRTR2 O43614 4/20 0.54

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
SCHEMBL20144905 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL20144769 0.88 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL18697670 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145001 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145119 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145148 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144973 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144900 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697658 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144955 0.87 HCRTR1 (0.70) 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