SCHEMBL28575220

SCHEMBL28575220

CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(c2cc3ccc(C#N)cc3n2Cc2cccc3ccccc23)[SH](=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ KDM4D Q6B0I6 5/20 0.38
▸ DRD3 P35462 2/20 0.37
▸ KCNA3 P22001 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ XIAP P98170 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ REN P00797 1/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28578378 0.87 F10 (0.37) DRD2DPP4EPHX1RENMAPK8
SCHEMBL28575236 0.85 DRD2 (0.44) DRD2DPP4CTSSCTSKKDM4D
SCHEMBL28575235 0.85 DRD2 (0.44) DRD2DPP4CTSSCTSKKDM4D
SCHEMBL28588250 0.82 DRD2 (0.42) DRD2DPP4CTSSCTSKKDM4D
SCHEMBL28588251 0.82 DRD2 (0.42) DRD2DPP4CTSSCTSKKDM4D
SCHEMBL21822134 0.82 DRD2 (0.42) DRD2DPP4CTSSCTSKKDM4D
SCHEMBL25017654 0.82 DRD2 (0.40) DRD2DPP4DRD3XIAP
SCHEMBL28580762 0.81 DRD2 (0.40) DRD2DPP4CTSSCTSKKDM4D
SCHEMBL28580759 0.81 DRD2 (0.40) DRD2DPP4CTSSCTSKKDM4D
SCHEMBL30180715 0.81 DRD2 (0.40) DRD2DPP4CTSSCTSKKDM4D

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
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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