SCHEMBL7901020

SCHEMBL7901020

COCCCn1c(C2CCCN(C(=O)OC(C)(C)C)C2)cc2cccc(F)c21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.41
USP30 Q70CQ3 2/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
SCN9A Q15858 2/20 0.40
GPR119 Q8TDV5 3/20 0.39
ACKR3 P25106 1/20 0.38
PDE4B Q07343 1/20 0.38
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
IRAK1 P51617 1/20 0.37
HPGDS O60760 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL2791259 0.88 ALOX5AP (0.43) TRPV3USP30ALOX5APFEN1SCN9A
SCHEMBL2789214 0.86 CNR2 (0.44) TRPV3USP30ALOX5APFEN1SCN9A
SCHEMBL2789464 0.83 HPGDS (0.41) USP30ALOX5APFEN1HPGDS
SCHEMBL7900706 0.82 ALOX5AP (0.42) TRPV3USP30ALOX5APFEN1SCN9A
SCHEMBL7901024 0.81 ALOX5AP (0.41) TRPV3USP30ALOX5APFEN1SCN9A
SCHEMBL2789050 0.79 PIK3CD (0.39) TRPV3ALOX5APFEN1SCN9APDE4B
SCHEMBL2789048 0.79 PIK3CD (0.39) TRPV3ALOX5APFEN1SCN9APDE4B
SCHEMBL2789961 0.79 ALOX5AP (0.40) TRPV3USP30ALOX5APFEN1SCN9A
SCHEMBL2791498 0.77 PIK3CD (0.39) ALOX5APFEN1SCN9APDE4BHPGDS
SCHEMBL2791496 0.77 PIK3CD (0.39) ALOX5APFEN1SCN9APDE4BHPGDS

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed