SCHEMBL29928671

SCHEMBL29928671

CC(=O)NCC1CCN(Cc2cc(O)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 13/20 0.58
▸ CACNA1I Q9P0X4 4/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ ACHE P22303 2/20 0.44
▸ CCR3 P51677 1/20 0.43

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
SCHEMBL21564374 1.00 FURIN (0.58) FURINCACNA1IKCNH2ACHECCR3
SCHEMBL21551424 0.90 FURIN (0.57) FURINCACNA1IKCNH2
SCHEMBL26077237 0.90 FURIN (0.58) FURINCACNA1IKCNH2CCR3
Hydrochloric Acid SCHEMBL21551130 0.89 FURIN (0.56) FURINCACNA1IKCNH2
SCHEMBL31540760 0.85 CACNA1I (0.58) FURINCACNA1IKCNH2ACHECCR3
SCHEMBL21551150 0.84 FURIN (0.53) FURIN
SCHEMBL30931760 0.84 FURIN (0.53) FURIN
SCHEMBL30931839 0.83 CACNA1I (0.54) FURINCACNA1IKCNH2ACHECCR3
SCHEMBL21550897 0.83 CACNA1I (0.54) FURINCACNA1IKCNH2ACHECCR3
Hydrochloric Acid SCHEMBL29891250 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 2 patents. 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
EP-4058021-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES BP Asset V, Inc. (US) 2022-09-21 — — EP disclosed
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