SCHEMBL10167046

SCHEMBL10167046

CC(C)(C)OC(=O)N1[C@@H](c2ccc(Oc3ccccc3N)cc2)CC[C@@]1(C)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.35
KDM1A O60341 2/20 0.34
BTK Q06187 6/20 0.34
EZH2 Q15910 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
BACE1 P56817 1/20 0.33
RORC P51449 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE4B Q07343 2/20 0.32
STS P08842 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
SCHEMBL483566 0.87 KCNH2 (0.49) OPRK1BTKEZH2GPR119KCNH2
SCHEMBL1107916 0.87 EZH2 (0.43) OPRK1KDM1ABTKEZH2GPR119
SCHEMBL28285321 0.84 GPR119 (0.43) KDM1AGPR119RORC
SCHEMBL10167514 0.84 KCNH2 (0.42) BTKKCNH2MAOB
SCHEMBL1104538 0.81 GPR119 (0.37) KDM1AGPR119RORCMAOAMAOB
SCHEMBL310810 0.81 GPR119 (0.37) KDM1AGPR119RORCMAOAMAOB
SCHEMBL484710 0.81 YAP1 (0.46) KCNH2MAOB
SCHEMBL311656 0.81 YAP1 (0.46) KCNH2MAOB
SCHEMBL310675 0.78 KCNH2 (0.55) BTKKCNH2MAOB
SCHEMBL483793 0.78 KCNH2 (0.55) BTKKCNH2MAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed