SCHEMBL16612960

SCHEMBL16612960

COc1ccnc2c1ccn2CCn1c[c]c(C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.41
IKBKB O14920 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
EHMT2 Q96KQ7 3/20 0.31
EHMT1 Q9H9B1 3/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
ZAP70 P43403 1/20 0.31
KARS1 Q15046 1/20 0.31
RET P07949 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
AURKA O14965 1/20 0.30
ABL1 P00519 1/20 0.30
LCK P06239 1/20 0.30
LYN P07948 1/20 0.30
MET P08581 1/20 0.30
KDR P35968 1/20 0.30
TEK Q02763 1/20 0.30

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
SCHEMBL16613148 0.84 HCRTR2 (0.42) HCRTR2
SCHEMBL16612997 0.78 HCRTR2 (0.42) HCRTR2TRPM5
SCHEMBL16613015 0.78 HCRTR2 (0.41) HCRTR2
SCHEMBL16612613 0.77 MTNR1A (0.49) HCRTR2
SCHEMBL16612773 0.77 MTNR1A (0.53) HCRTR2
SCHEMBL16612831 0.77 HCRTR2 (0.42) HCRTR2TRPM5
SCHEMBL16612656 0.73 HCRTR2 (0.42) HCRTR2TRPM5
SCHEMBL16612704 0.73 MET (0.41) HCRTR2KDM4EMET
SCHEMBL16613026 0.72 HDAC6 (0.40) HCRTR2KDR
SCHEMBL16612868 0.72 MTNR1A (0.49) 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