SCHEMBL16612683

SCHEMBL16612683

NC(=O)c1[c]cn(CCNc2ncc3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
HCRTR2 O43614 2/20 0.41
PDE10A Q9Y233 1/20 0.40
SYK P43405 3/20 0.36
ZAP70 P43403 1/20 0.36
MAP3K5 Q99683 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
CCNA2 P20248 7/20 0.35
CDK2 P24941 7/20 0.35
CCNA1 P78396 7/20 0.35
AURKA O14965 3/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ROCK2 O75116 1/20 0.34
STAT6 P42226 2/20 0.33

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
SCHEMBL16612710 0.81 KDM4E (0.49) HCRTR2PDE10ASYK
SCHEMBL16612738 0.79 HCRTR2 (0.36) HCRTR2SYKZAP70CCNA2CDK2
SCHEMBL16612690 0.79 HCRTR2 (0.35) HCRTR2SYKCCNA2CDK2CCNA1
SCHEMBL16612643 0.79 HCRTR1 (0.39) HCRTR2SYK
SCHEMBL12479212 0.78 FDPS (0.45) FDPSHCRTR2PDE10ASYKZAP70
SCHEMBL16612872 0.77 HCRTR2 (0.41) HCRTR2SYKCCNA2CDK2CCNA1
SCHEMBL16612797 0.76 HCRTR2 (0.40) HCRTR2
SCHEMBL16612825 0.75 HCRTR2 (0.41) HCRTR2
SCHEMBL16612841 0.72 MAPT (0.40) HCRTR2
SCHEMBL16613039 0.71 MEN1 (0.46) HCRTR2

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