SCHEMBL20144902

SCHEMBL20144902

O=C(c1c(F)cccc1-n1nccn1)N1CCCC(Oc2cnc(C(F)(F)F)cn2)C1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.54
HCRTR2 O43614 12/20 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
SCHEMBL20144861 0.88 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL20144805 0.87 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL18697756 0.87 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL18697662 0.86 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144942 0.86 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL18697663 0.86 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL20144839 0.86 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL20144922 0.85 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL20144931 0.84 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL20145023 0.82 HCRTR2 (0.59) 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