SCHEMBL30743147

SCHEMBL30743147

CC(C)(C)OC(=O)N1CCC2(CC1)COc1cc(N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
GPR119 Q8TDV5 4/20 0.42
USP30 Q70CQ3 1/20 0.41
IDO1 P14902 5/20 0.41
TDO2 P48775 5/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
GPR183 P32249 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM1A O60341 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL326175 0.87 ESR2 (0.49) GPR119USP30IDO1TDO2HDAC1
SCHEMBL13261529 0.87 GPR119 (0.43) GPR119USP30IDO1TDO2HDAC1
SCHEMBL38663673 0.86 GPR119 (0.43) GPR119USP30IDO1TDO2HDAC1
SCHEMBL31235979 0.84 IDO1 (0.46) GPR119IDO1TDO2HDAC1HDAC8
SCHEMBL30743138 0.82 HDAC2 (0.43) NR1H2GPR119USP30HDAC1HDAC2
SCHEMBL30743137 0.82 HDAC2 (0.43) NR1H2GPR119USP30HDAC1HDAC2
SCHEMBL30743097 0.81 NR1H2 (0.45) NR1H2GPR119USP30HDAC1HDAC2
SCHEMBL31543806 0.81 CRBN (0.42) NR1H2GPR119USP30IDO1TDO2
SCHEMBL31329274 0.80 NAMPT (0.40) NR1H2GPR119USP30HDAC1HDAC2
SCHEMBL38661874 0.80 USP30 (0.45) GPR119USP30IDO1TDO2HDAC1

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-2025039999-A1 FUSED HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2025-02-27 WO disclosed
WO-2024015346-A1 CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. d.b.a PROTEOVANT THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed