SCHEMBL31540798

SCHEMBL31540798

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 8/20 0.53
▸ KCNH2 Q12809 6/20 0.53
▸ FURIN P09958 7/20 0.49
▸ CCR3 P51677 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ACHE P22303 2/20 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
SCHEMBL31540760 0.94 CACNA1I (0.58) CACNA1IKCNH2FURINCCR3ACHE
SCHEMBL31540755 0.91 CACNA1I (0.53) CACNA1IKCNH2FURINCCR3ACHE
SCHEMBL21550897 0.88 CACNA1I (0.54) CACNA1IKCNH2FURINCCR3ACHE
SCHEMBL30931839 0.88 CACNA1I (0.54) CACNA1IKCNH2FURINCCR3ACHE
SCHEMBL31540785 0.87 CACNA1I (0.48) CACNA1IKCNH2FURINCCR3TP53
Hydrochloric Acid SCHEMBL29891250 0.87 CACNA1I (0.53) CACNA1IKCNH2FURINCCR3ACHE
SCHEMBL31540775 0.85 CACNA1I (0.50) CACNA1IKCNH2FURINCCR3TP53
SCHEMBL31540756 0.85 CACNA1I (0.57) CACNA1IKCNH2FURINCCR3TP53
SCHEMBL31540781 0.85 CXCR4 (0.50) CACNA1IKCNH2FURINCCR3MAPT
SCHEMBL31540765 0.85 CACNA1I (0.52) CACNA1IKCNH2FURINACHE

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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