SCHEMBL30931843

SCHEMBL30931843

CC(=O)NCC1CCN(Cc2cc(Oc3ncc([N+](=O)[O-])cn3)cc(-c3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 11/20 0.51
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FAAH O00519 4/20 0.46
▸ ACHE P22303 4/20 0.46
▸ BCHE P06276 2/20 0.43
▸ CACNA1I Q9P0X4 3/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ GSK3B P49841 1/20 0.40

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
SCHEMBL21551597 1.00 FURIN (0.51) FURINMEN1KMT2AFAAHACHE
SCHEMBL21551532 0.88 FURIN (0.53) FURINFAAHACHEBCHECACNA1I
SCHEMBL21555665 0.88 FAAH (0.54) FURINMEN1KMT2AFAAHACHE
SCHEMBL30931828 0.88 FAAH (0.54) FURINMEN1KMT2AFAAHACHE
SCHEMBL21551498 0.82 FURIN (0.57) FURINCACNA1IKCNH2
SCHEMBL30931751 0.82 FURIN (0.57) FURINCACNA1IKCNH2
SCHEMBL21551389 0.80 FURIN (0.59) FURINFAAHACHEBCHECACNA1I
SCHEMBL26077400 0.80 FURIN (0.63) FURINCACNA1IKCNH2
SCHEMBL21550873 0.80 FURIN (0.56) FURINFAAHACHEBCHECACNA1I
SCHEMBL31540760 0.79 CACNA1I (0.58) FURINACHECACNA1IKCNH2

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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