SCHEMBL26527428

SCHEMBL26527428

Cn1c(=O)oc2ccc(-c3ccc(CCC#N)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.46
KCNJ1 P48048 3/20 0.41
ASAH1 Q13510 3/20 0.40
GPR55 Q9Y2T6 1/20 0.40
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL25865847 0.83 CTSC (0.49) CTSCKCNJ1ASAH1GPR55DDB1
SCHEMBL18593724 0.81 KCNJ1 (0.45) CTSCKCNJ1GPR55PKMDDB1
SCHEMBL16932293 0.79 CTSC (0.52) CTSCKCNJ1GPR55
SCHEMBL21985824 0.79 CTSC (0.52) CTSCKCNJ1GPR55
SCHEMBL30538029 0.79 CTSC (0.52) CTSCKCNJ1GPR55
SCHEMBL30738968 0.79 CTSC (0.52) CTSCKCNJ1GPR55
Hydrochloric Acid SCHEMBL30738866 0.78 CTSC (0.51) CTSCKCNJ1GPR55
SCHEMBL20172639 0.76 GPR55 (0.46) KCNJ1GPR55ALDH1A1PKMDDB1
SCHEMBL21924553 0.74 CTSC (0.66) CTSC
SCHEMBL16934691 0.74 CTSC (0.66) CTSC

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
WO-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 WO disclosed
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed