SCHEMBL30931828

SCHEMBL30931828

CC(=O)NCC1CCN(Cc2cc(Oc3ccc([N+](=O)[O-])cc3)cc(-c3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.54
▸ ACHE P22303 3/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ FURIN P09958 7/20 0.51
▸ KCNH2 Q12809 1/20 0.46
▸ CACNA1I Q9P0X4 1/20 0.46
▸ BCHE P06276 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ MGLL Q99685 2/20 0.42

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
SCHEMBL21555665 1.00 FAAH (0.54) FAAHACHEMEN1KMT2AFURIN
SCHEMBL21550726 0.88 FURIN (0.53) FAAHACHEFURINKCNH2CACNA1I
SCHEMBL30931843 0.88 FURIN (0.51) FAAHACHEMEN1KMT2AFURIN
SCHEMBL21551597 0.88 FURIN (0.51) FAAHACHEMEN1KMT2AFURIN
SCHEMBL21551389 0.82 FURIN (0.59) FAAHACHEFURINKCNH2CACNA1I
SCHEMBL31540760 0.81 CACNA1I (0.58) ACHEFURINKCNH2CACNA1I
SCHEMBL21551783 0.79 FURIN (0.54) FAAHACHEFURINKCNH2CACNA1I
SCHEMBL30931753 0.79 FURIN (0.54) FAAHACHEFURINKCNH2CACNA1I
SCHEMBL21551532 0.79 FURIN (0.53) FAAHACHEFURINKCNH2CACNA1I
SCHEMBL21551498 0.79 FURIN (0.57) FURINKCNH2CACNA1I

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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