SCHEMBL28546879

SCHEMBL28546879

CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3cc(COS(C)(=O)=O)nc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.51
▸ PGK1 P00558 1/20 0.42
▸ FURIN P09958 5/20 0.42
▸ ADK P55263 1/20 0.42
▸ RET P07949 4/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ WNT3A P56704 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
SCHEMBL29890900 1.00 GPR119 (0.51) GPR119PGK1FURINADKRET
SCHEMBL21551096 0.90 FURIN (0.44) GPR119FURIN
SCHEMBL30931840 0.89 GPR119 (0.47) GPR119PGK1FURINADKRET
SCHEMBL21551728 0.89 GPR119 (0.47) GPR119PGK1FURINADKRET
SCHEMBL21551559 0.88 GPR119 (0.51) GPR119PGK1FURINADKRET
SCHEMBL21551434 0.87 GPR119 (0.53) GPR119PGK1FURINADKRET
SCHEMBL29890812 0.87 GPR119 (0.53) GPR119PGK1FURINADKRET
SCHEMBL26077353 0.86 FURIN (0.41) FURIN
SCHEMBL30931780 0.84 GPR119 (0.57) GPR119PGK1ADKRETCKS1B
SCHEMBL21551718 0.84 GPR119 (0.57) GPR119PGK1ADKRETCKS1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
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