SCHEMBL24739441

SCHEMBL24739441

CCOC(=O)/C=C/[C@@H]1C[C@H](Oc2ccc(F)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
MCL1 Q07820 5/20 0.36
EPHX2 P34913 2/20 0.36
P2RX3 P56373 1/20 0.36
TACR1 P25103 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL24739134 0.90 P2RX3 (0.43) GPR119MCL1P2RX3L3MBTL1
SCHEMBL24739542 0.90 HRH3 (0.38) HRH3GPR119MCL1EPHX2TACR1
SCHEMBL24739228 0.90 P2RX3 (0.43) GPR119MCL1P2RX3L3MBTL1
SCHEMBL24739388 0.90 USP30 (0.43) GPR119MCL1L3MBTL1
SCHEMBL24739054 0.90 GPR119 (0.42) HRH3GPR119MCL1P2RX3
SCHEMBL24739403 0.87 GPR119 (0.41) HRH3GPR119
SCHEMBL24739232 0.87 GPR119 (0.41) HRH3GPR119
SCHEMBL24739018 0.87 GPR119 (0.37) GPR119L3MBTL1
SCHEMBL24739445 0.85 HRH3 (0.43) HRH3KCNH2GPR119MCL1EPHX2
SCHEMBL24739165 0.81 ALDH1A1 (0.36) L3MBTL1

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