SCHEMBL20144875

SCHEMBL20144875

Cc1cc(NC2CCCN(C(=O)c3cc(F)ccc3-c3ncccn3)C2)nc(C(F)(F)F)n1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.71
HCRTR2 O43614 14/20 0.71
GFER P55789 2/20 0.51

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
SCHEMBL20144803 0.93 HCRTR1 (0.71) HCRTR1HCRTR2GFER
SCHEMBL16031263 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078111 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031265 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18697728 0.77 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144802 0.77 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144767 0.77 HCRTR1 (0.67) HCRTR1HCRTR2GFER
SCHEMBL18697652 0.77 HCRTR1 (0.67) HCRTR1HCRTR2GFER
SCHEMBL20144885 0.77 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL6925174 0.76 HCRTR1 (1.00) 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