SCHEMBL24739445

SCHEMBL24739445

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)cc2)C[C@H]1C=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
GPR119 Q8TDV5 3/20 0.43
KCNH2 Q12809 1/20 0.43
MCL1 Q07820 5/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
EPHX2 P34913 1/20 0.39
USP30 Q70CQ3 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL24739131 0.88 P2RX3 (0.47) GPR119MCL1USP30
SCHEMBL12442601 0.88 USP30 (0.49) GPR119MCL1USP30
SCHEMBL24739401 0.87 HRH3 (0.47) HRH3KCNH2USP30
SCHEMBL24739441 0.85 HRH3 (0.38) HRH3GPR119KCNH2MCL1EPHX2
SCHEMBL24739223 0.84 GPR119 (0.45) GPR119GRIN1GRIN2B
SCHEMBL24739423 0.84 GPR119 (0.45) GPR119GRIN1GRIN2B
SCHEMBL31051486 0.84 HRH3 (0.42) HRH3GPR119KCNH2MCL1GRIN1
SCHEMBL24739025 0.84 GRIN1 (0.41) GPR119GRIN1GRIN2B
SCHEMBL24739551 0.84 GRIN1 (0.41) GPR119GRIN1GRIN2B
SCHEMBL18618195 0.84 TACR1 (0.41) HRH3KCNH2MCL1GRIN1GRIN2B

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-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed