SCHEMBL31540765

SCHEMBL31540765

CC(=O)NCC1CCN(Cc2cc(CN3CCC(c4ccccc4)CC3)cc(-c3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 3/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ CHRM4 P08173 2/20 0.51
▸ FURIN P09958 5/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ACHE P22303 3/20 0.49
▸ CCR2 P41597 3/20 0.48
▸ FAAH O00519 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47

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) CACNA1IKCNH2FURINACHE
SCHEMBL31540798 0.85 CACNA1I (0.53) CACNA1IKCNH2FURINACHE
SCHEMBL31540755 0.85 CACNA1I (0.53) CACNA1IKCNH2FURINACHE
SCHEMBL31540756 0.85 CACNA1I (0.57) CACNA1IKCNH2FURINACHECCR2
SCHEMBL30931839 0.83 CACNA1I (0.54) CACNA1IKCNH2FURINACHE
SCHEMBL21550897 0.83 CACNA1I (0.54) CACNA1IKCNH2FURINACHE
Hydrochloric Acid SCHEMBL29891250 0.83 CACNA1I (0.53) CACNA1IKCNH2FURINACHE
SCHEMBL31540754 0.82 CACNA1I (0.44) CACNA1IKCNH2CHRM4FURINACHE
SCHEMBL31540775 0.81 CACNA1I (0.50) CACNA1IKCNH2FURIN
SCHEMBL17469031 0.81 ACHE (0.70) ACHEFAAHBCHEHDAC3HDAC4

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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