SCHEMBL10068009

SCHEMBL10068009

CC(C)(C)OC(=O)N1C2CCC1CC(Oc1c(F)cc(Br)cc1F)C2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
GPR119 Q8TDV5 12/20 0.45
USP30 Q70CQ3 1/20 0.39
DPP4 P27487 1/20 0.39
PREP P48147 2/20 0.39
HSD11B1 P28845 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
SCHEMBL12094647 0.84 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119DPP4
SCHEMBL25394031 0.81 GPR119 (0.53) GPR119USP30DPP4
SCHEMBL1029432 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL1029431 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL20439309 0.80 USP30 (0.52) GPR119USP30DPP4
SCHEMBL903887 0.80 GPR119 (0.53) GPR119
SCHEMBL10068008 0.79 GPR119 (0.41) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL14873168 0.79 GPR119 (0.51) CHRM2CHRM1CHRM3GPR119
SCHEMBL15058621 0.78 GPR119 (0.48) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL15058619 0.78 GPR119 (0.48) CHRM2CHRM1CHRM3GPR119PREP

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