SCHEMBL16612752

SCHEMBL16612752

NC(=O)c1[c]cn(CCNc2ccc(F)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
JAK2 O60674 8/20 0.35
JAK1 P23458 7/20 0.35
TYK2 P29597 6/20 0.35
JAK3 P52333 2/20 0.35
STAT3 P40763 1/20 0.35
GRM5 P41594 2/20 0.35
TDO2 P48775 1/20 0.34
HCAR3 P49019 1/20 0.33
PDE4D Q08499 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL16612841 0.86 MAPT (0.40) HCRTR2JAK2HCAR3
SCHEMBL16612665 0.83 HCRTR2 (0.39) HCRTR2JAK2JAK1
SCHEMBL16613011 0.80 HCRTR2 (0.36) HCRTR2GRM5
SCHEMBL16612775 0.76 MAOB (0.41)
SCHEMBL16612726 0.75 ALDH1A1 (0.40) HCRTR2
SCHEMBL16612738 0.75 HCRTR2 (0.36) HCRTR2TYK2
SCHEMBL16612690 0.75 HCRTR2 (0.35) HCRTR2
SCHEMBL16612866 0.73 HCRTR2 (0.41) HCRTR2
SCHEMBL16612683 0.72 FDPS (0.45) HCRTR2
SCHEMBL15520768 0.71 LMNA (0.40)

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-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP claimed