SCHEMBL20144909

SCHEMBL20144909

Cc1ccc(C(=O)N2CCCC(Nc3nc4ccccc4o3)C2)c(-n2nccn2)n1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.70
HCRTR2 O43614 14/20 0.70
OPRK1 P41145 1/20 0.44
GFER P55789 1/20 0.43

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
SCHEMBL20144833 0.85 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL16030565 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144863 0.80 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL20144729 0.80 HCRTR1 (0.46) HCRTR1HCRTR2OPRK1GFER
SCHEMBL20145121 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144890 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697666 0.76 HCRTR1 (0.69) HCRTR1HCRTR2OPRK1GFER
SCHEMBL20144735 0.76 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145005 0.76 HCRTR1 (0.69) HCRTR1HCRTR2OPRK1GFER
SCHEMBL20144867 0.75 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