SCHEMBL31410454

SCHEMBL31410454

CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C3CCC2CN(c2ncc(C(F)(F)F)cn2)C3)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.45
▸ STS P08842 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ SFRP1 Q8N474 2/20 0.40
▸ TIPARP Q7Z3E1 1/20 0.40
▸ USP30 Q70CQ3 3/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ TRPV4 Q9HBA0 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ PARP2 Q9UGN5 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
SCHEMBL31410387 1.00 GPR119 (0.45) GPR119STSHPGDSFRP1TIPARP
SCHEMBL31381887 1.00 GPR119 (0.45) GPR119STSHPGDSFRP1TIPARP
Hydrochloric Acid SCHEMBL31410396 0.99 GPR119 (0.44) GPR119STSHPGDSFRP1TIPARP
SCHEMBL29169128 0.87 GPR119 (0.50) GPR119STSHPGDSFRP1TIPARP
SCHEMBL29168949 0.87 GPR119 (0.50) GPR119STSHPGDSFRP1TIPARP
SCHEMBL29168944 0.87 GPR119 (0.50) GPR119STSHPGDSFRP1TIPARP
SCHEMBL24962970 0.86 GPR119 (0.57) GPR119TIPARPTRPV4
SCHEMBL31381945 0.85 TIPARP (0.41) TIPARPTRPV4PARP1
SCHEMBL31410440 0.81 HPGD (0.48) GPR119HPGDSFRP1TIPARPPARP1
SCHEMBL31381854 0.81 HPGD (0.48) GPR119HPGDSFRP1TIPARPPARP1

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-2025045246-A1 PARP7 INHIBITOR AND USE THEREOF 重庆华森英诺生物科技有限公司 2025-03-06 — — WO disclosed
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