SCHEMBL25865847

SCHEMBL25865847

Cn1c(=O)oc2ccc(-c3ccc(CCC#N)c(F)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.49
CTSK P43235 1/20 0.42
GPR55 Q9Y2T6 3/20 0.41
KCNJ1 P48048 4/20 0.40
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM1A O60341 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CYP11B2 P19099 1/20 0.34
ASAH1 Q13510 2/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL26527428 0.83 CTSC (0.46) CTSCGPR55KCNJ1DDB1CRBN
SCHEMBL24981975 0.81 CTSC (0.56) CTSCCTSKGPR55KCNJ1KDM1A
SCHEMBL28696393 0.81 CTSC (0.56) CTSCCTSKGPR55KCNJ1KDM1A
SCHEMBL25865852 0.81 CTSC (0.39) CTSCCTSKFFAR1FFAR4ASAH1
SCHEMBL25865853 0.77 CTSC (0.37) CTSCCTSKKDM1A
SCHEMBL28700457 0.76 CTSC (0.55) CTSCCTSKGPR55KCNJ1KDM1A
SCHEMBL29455670 0.74 CTSC (0.49) CTSCCTSKGPR55KCNJ1KDM1A
SCHEMBL32680807 0.74 CTSC (0.49) CTSCCTSKGPR55KCNJ1KDM1A
SCHEMBL31757849 0.73 CTSC (0.64) CTSCCTSK
SCHEMBL31758121 0.73 CTSC (0.64) CTSCCTSK

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
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 WO disclosed