SCHEMBL31540756

SCHEMBL31540756

CC(=O)NCC1CCN(Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 3/20 0.57
▸ KCNH2 Q12809 2/20 0.57
▸ TP53 P04637 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HTT P42858 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ACHE P22303 4/20 0.51
▸ CXCR4 P61073 2/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL31540760 0.90 CACNA1I (0.58) CACNA1IKCNH2ACHECCR3FURIN
SCHEMBL21550897 0.86 CACNA1I (0.54) CACNA1IKCNH2ACHECCR3FURIN
SCHEMBL30931839 0.86 CACNA1I (0.54) CACNA1IKCNH2ACHECCR3FURIN
Hydrochloric Acid SCHEMBL29891250 0.85 CACNA1I (0.53) CACNA1IKCNH2ACHECCR3FURIN
SCHEMBL31540798 0.85 CACNA1I (0.53) CACNA1IKCNH2TP53MAPTHTT
SCHEMBL31540755 0.85 CACNA1I (0.53) CACNA1IKCNH2ACHECCR3FURIN
SCHEMBL31540765 0.85 CACNA1I (0.52) CACNA1IKCNH2ACHEHDAC3HDAC4
SCHEMBL17469031 0.82 ACHE (0.70) ACHECXCR4HDAC3HDAC4HDAC1
SCHEMBL31540775 0.81 CACNA1I (0.50) CACNA1IKCNH2TP53MAPTHTT
SCHEMBL27558611 0.81 CCR2 (0.62) CACNA1IKCNH2TP53ACHECXCR4

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
WO-2025068371-A1 INHIBITORS OF THE PROPROTEIN CONVERTASE FURIN, METHODS OF PRODUCTION THEREOF AND USE PHILIPPS-UNIVERSITÄT MARBURG (DE) 2025-04-03 — — WO disclosed
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