SCHEMBL20144889

SCHEMBL20144889

Cc1cnc(C(=O)N2CCCC(Nc3ccc(Br)cn3)C2)c(-c2ncco2)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.70
HCRTR2 O43614 9/20 0.70
OPRK1 P41145 3/20 0.43
GFER P55789 2/20 0.40
KMT2A Q03164 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39

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
SCHEMBL20144831 1.00 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFERKMT2A
SCHEMBL20144927 0.90 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFERCCNK
SCHEMBL18697778 0.87 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFERKMT2A
SCHEMBL20144835 0.87 HCRTR1 (0.70) HCRTR1HCRTR2OPRK1GFERKMT2A
SCHEMBL20145300 0.85 HCRTR1 (0.51) HCRTR1HCRTR2GFERKMT2ACCNK
SCHEMBL20144929 0.85 HCRTR1 (0.72) HCRTR1HCRTR2CCNKCDK12
SCHEMBL16030756 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20145017 0.81 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144985 0.81 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144965 0.80 HCRTR1 (0.72) 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