SCHEMBL24739401

SCHEMBL24739401

CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@H]1C=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.47
KCNH2 Q12809 2/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GHSR Q92847 1/20 0.41
MGLL Q99685 2/20 0.41
ABHD6 Q9BV23 2/20 0.41
FAAH O00519 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL3863158 0.88 GRIN1 (0.43) HRH3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL24739536 0.87 SLC6A4 (0.42) HRH3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL24739445 0.87 HRH3 (0.43) HRH3KCNH2USP30
SCHEMBL12442601 0.87 USP30 (0.49) USP30
SCHEMBL7722106 0.86 MCL1 (0.45) FAAHUSP30
SCHEMBL24739420 0.85 HRH3 (0.47) HRH3KCNH2GHSRMGLLABHD6
SCHEMBL24739423 0.83 GPR119 (0.45)
SCHEMBL24739223 0.83 GPR119 (0.45)
SCHEMBL24739408 0.82 HRH3 (0.54) HRH3KCNH2GHSRMGLLABHD6
SCHEMBL24739025 0.81 GRIN1 (0.41)

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