SCHEMBL29198900

SCHEMBL29198900

CC(=O)NCC1CCN(Cc2cc(Oc3ccc(NCC(C)(C)OC(N)=O)nc3)cc(-c3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 15/20 0.53
▸ CACNA1I Q9P0X4 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ FAAH O00519 2/20 0.38
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 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
SCHEMBL29928557 0.92 FURIN (0.56) FURINCACNA1IKCNH2FAAHBCHE
SCHEMBL21550895 0.92 FURIN (0.56) FURINCACNA1IKCNH2FAAHBCHE
SCHEMBL21550909 0.89 FURIN (0.56) FURINCACNA1IKCNH2FAAHBCHE
SCHEMBL21564564 0.88 FURIN (0.53) FURINCACNA1IKCNH2FAAHBCHE
SCHEMBL29890782 0.88 FURIN (0.53) FURINCACNA1IKCNH2FAAHBCHE
SCHEMBL21551389 0.82 FURIN (0.59) FURINCACNA1IKCNH2FAAHBCHE
SCHEMBL21553796 0.82 FURIN (0.44) FURIN
SCHEMBL21550726 0.80 FURIN (0.53) FURINCACNA1IKCNH2FAAHBCHE
SCHEMBL21551082 0.78 FURIN (0.52) FURINCACNA1IKCNH2FAAHBCHE
SCHEMBL29928363 0.78 FURIN (0.52) FURINCACNA1IKCNH2FAAHBCHE

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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