SCHEMBL29199010

SCHEMBL29199010

CC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CC[C@H](NC(=O)OC(C)(C)C)[C@H](F)C4)nc3)cc(-c3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 9/20 0.54
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM4 P08173 3/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ RET P07949 4/20 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
SCHEMBL21564572 1.00 FURIN (0.54) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL29890932 1.00 FURIN (0.54) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL29199011 1.00 FURIN (0.54) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL21551399 0.92 FURIN (0.59) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL21551397 0.92 FURIN (0.59) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL21551401 0.92 FURIN (0.59) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL26077365 0.89 FURIN (0.60) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL24872438 0.87 FURIN (0.59) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL21551019 0.87 FURIN (0.59) FURINCHRM2CHRM1CHRM4CHRM5
SCHEMBL21551021 0.87 FURIN (0.59) FURINCHRM2CHRM1CHRM4CHRM5

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
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
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