SCHEMBL30931753

SCHEMBL30931753

COCOc1cc(CN2CCC(CNC(C)=O)CC2)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 9/20 0.54
▸ CACNA1I Q9P0X4 4/20 0.48
▸ KCNH2 Q12809 3/20 0.48
▸ ACHE P22303 5/20 0.45
▸ FAAH O00519 3/20 0.45
▸ BCHE P06276 2/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ CCR3 P51677 1/20 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
SCHEMBL21551783 1.00 FURIN (0.54) FURINCACNA1IKCNH2ACHEFAAH
SCHEMBL31540760 0.87 CACNA1I (0.58) FURINCACNA1IKCNH2ACHECCR3
SCHEMBL30931839 0.83 CACNA1I (0.54) FURINCACNA1IKCNH2ACHECCR3
SCHEMBL21550897 0.83 CACNA1I (0.54) FURINCACNA1IKCNH2ACHECCR3
SCHEMBL21550726 0.82 FURIN (0.53) FURINCACNA1IKCNH2ACHEFAAH
SCHEMBL21551498 0.82 FURIN (0.57) FURINCACNA1IKCNH2
SCHEMBL30931751 0.82 FURIN (0.57) FURINCACNA1IKCNH2
SCHEMBL21551532 0.82 FURIN (0.53) FURINCACNA1IKCNH2ACHEFAAH
SCHEMBL31540798 0.82 CACNA1I (0.53) FURINCACNA1IKCNH2ACHECCR3
SCHEMBL31540755 0.82 CACNA1I (0.53) FURINCACNA1IKCNH2ACHECCR3

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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