SCHEMBL20144815

SCHEMBL20144815

O=C(c1c(F)cccc1-n1nccn1)N1CCCC(Nc2nccc(C(F)(F)F)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.69
HCRTR2 O43614 17/20 0.69

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
SCHEMBL20144846 0.82 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL16030752 0.82 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16078114 0.82 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16149816 0.82 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16030753 0.82 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1841481 0.77 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1672065 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144902 0.75 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1841479 0.74 KMT2A (0.46) HCRTR1HCRTR2
SCHEMBL1141175 0.73 SYK (0.46) 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