SCHEMBL903963

SCHEMBL903963

CC(C)(C)OC(=O)N1CC2C(COc3c(F)cc(Br)cc3F)C2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.47
DPP4 P27487 1/20 0.40
JAK3 P52333 1/20 0.40
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
IDO1 P14902 2/20 0.38
NR1H2 P55055 1/20 0.38
RORC P51449 3/20 0.37
SCN9A Q15858 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
MAPT P10636 1/20 0.36
TDO2 P48775 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL29912881 0.85 GPR119 (0.47) JAK3ALOX5APFEN1IDO1NR1H2
SCHEMBL1103975 0.81 GPR119 (0.50) DPP4ALOX5APFEN1IDO1SCN9A
SCHEMBL903965 0.81 USP30 (0.43) USP30DPP4JAK3ALOX5APFEN1
SCHEMBL10067776 0.81 GPR119 (0.48) GPR119
SCHEMBL903936 0.80 GPR119 (0.48) GPR119
SCHEMBL20439309 0.79 USP30 (0.52) USP30DPP4IDO1NR1H2RORC
SCHEMBL29912982 0.77 SSTR4 (0.44) USP30DPP4JAK3ALOX5APFEN1
SCHEMBL30785458 0.77 SSTR4 (0.44) USP30DPP4JAK3ALOX5APFEN1
SCHEMBL903835 0.77 GPR119 (0.51) GPR119
SCHEMBL23706204 0.75 HCRTR1 (0.40) JAK3ALOX5APFEN1RORCGPR119

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-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed