SCHEMBL25899695

SCHEMBL25899695

Cc1ccc(N2CC3CC2CN3C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.50
HSD11B1 P28845 1/20 0.50
PARP1 P09874 1/20 0.48
HDAC1 Q13547 1/20 0.46
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
AR P10275 2/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKR1C3 P42330 1/20 0.42
FAAH O00519 1/20 0.41
RET P07949 2/20 0.40
SPR P35270 1/20 0.39
TP53 P04637 1/20 0.39
GRM2 Q14416 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 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
SCHEMBL1199630 0.90 GPR119 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL15441789 0.90 GPR119 (0.53) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL30261871 0.90 GPR119 (0.53) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL1199627 0.90 GPR119 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL1199629 0.90 GPR119 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL23551511 0.90 GPR119 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL2883317 0.88 HDAC1 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL12194099 0.88 GPR119 (0.49) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL24989562 0.88 FAAH (0.52) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL2069447 0.88 GPR119 (0.49) GPR119HSD11B1PARP1HDAC1F13A1

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-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed