SCHEMBL28546917

SCHEMBL28546917

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.50
▸ FURIN P09958 5/20 0.41
▸ WNT3A P56704 1/20 0.39
▸ PGK1 P00558 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ RET P07949 3/20 0.38
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37

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
SCHEMBL29890665 1.00 GPR119 (0.50) GPR119FURINWNT3APGK1CKS1B
SCHEMBL29890640 0.92 GPR119 (0.50) GPR119FURINWNT3APGK1CKS1B
SCHEMBL21551196 0.92 GPR119 (0.50) GPR119FURINWNT3APGK1CKS1B
SCHEMBL21564599 0.92 GPR119 (0.47) GPR119FURINWNT3APGK1CKS1B
SCHEMBL21553758 0.91 FURIN (0.43) GPR119FURINWNT3A
SCHEMBL21551253 0.90 GPR119 (0.46) GPR119FURINWNT3APGK1CKS1B
SCHEMBL30931821 0.90 GPR119 (0.46) GPR119FURINWNT3APGK1CKS1B
SCHEMBL29891921 0.90 GPR119 (0.46) GPR119FURINWNT3APGK1CKS1B
SCHEMBL21551434 0.88 GPR119 (0.53) GPR119FURINWNT3APGK1CKS1B
SCHEMBL29890812 0.88 GPR119 (0.53) GPR119FURINWNT3APGK1CKS1B

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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