SCHEMBL3128288

SCHEMBL3128288

N#Cc1ccccc1OC1CC[N]CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.42
PDE10A Q9Y233 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TBK1 Q9UHD2 2/20 0.39
IKBKE Q14164 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
KDM4E B2RXH2 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL23761235 0.88 EPHX2 (0.44) GPR6PDE10AEPHX2POLBGAA
SCHEMBL30505244 0.88 EPHX2 (0.44) GPR6PDE10AEPHX2POLBGAA
Hydrochloric Acid SCHEMBL25401967 0.86 EPHX2 (0.44) GPR6PDE10AEPHX2POLBGAA
SCHEMBL29844280 0.84 KDM4E (0.47) GPR6PDE10AEPHX2POLBGAA
SCHEMBL6530291 0.84 KDM4E (0.50) GPR6EPHX2POLBGAAKDM4E
SCHEMBL2297804 0.83 POLB (0.41) GPR6PDE10AEPHX2POLBGAA
SCHEMBL3121941 0.81 KDM4E (0.40) GPR6PDE10AEPHX2POLBGAA
SCHEMBL3117962 0.81 KDM4E (0.40) GPR6PDE10AEPHX2POLBGAA
SCHEMBL16989684 0.80 TRPC3 (0.44) GPR6PDE10AEPHX2POLBGAA
SCHEMBL16989683 0.80 TRPC3 (0.44) GPR6PDE10AEPHX2POLBGAA

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed