SCHEMBL20144795

SCHEMBL20144795

Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)C2)c(-c2ncco2)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.72
HCRTR2 O43614 9/20 0.72
OPRK1 P41145 3/20 0.41
SSTR5 P35346 1/20 0.39
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL20144965 1.00 HCRTR1 (0.72) HCRTR1HCRTR2OPRK1SSTR5GFER
SCHEMBL20144863 0.84 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL16031887 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144889 0.80 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFERKMT2A
SCHEMBL20144831 0.80 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFERKMT2A
SCHEMBL20144927 0.80 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFER
SCHEMBL20144890 0.79 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145121 0.79 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697778 0.79 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFERKMT2A
SCHEMBL20144835 0.79 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFERKMT2A

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