SCHEMBL20144963

SCHEMBL20144963

Cc1noc(-c2cc(F)ccc2C(=O)N2CCCC(Nc3ncc(C(F)(F)F)cn3)C2)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.62
HCRTR2 O43614 6/20 0.57
OPRK1 P41145 2/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
GFER P55789 1/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
MAP3K12 Q12852 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
SCHEMBL20145089 1.00 HCRTR1 (0.62) HCRTR1HCRTR2OPRK1JAK2JAK3
SCHEMBL20144777 0.92 HCRTR1 (0.72) HCRTR1HCRTR2OPRK1JAK2JAK3
SCHEMBL18697646 0.92 HCRTR1 (0.72) HCRTR1HCRTR2OPRK1JAK2JAK3
SCHEMBL20145140 0.85 HCRTR1 (0.60) HCRTR1HCRTR2GFER
SCHEMBL20145086 0.85 HCRTR1 (0.60) HCRTR1HCRTR2GFER
SCHEMBL16149405 0.84 HCRTR1 (0.84) HCRTR1HCRTR2
SCHEMBL17506066 0.84 HCRTR1 (0.84) HCRTR1HCRTR2
SCHEMBL20144926 0.83 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144938 0.81 HCRTR1 (0.66) HCRTR1HCRTR2OPRK1JAK2JAK3
SCHEMBL20144856 0.81 HCRTR1 (0.66) HCRTR1HCRTR2OPRK1JAK2JAK3

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