SCHEMBL28580140

SCHEMBL28580140

CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cc3ccc(C#N)cc3n2-c2cccc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.44
▸ DRD3 P35462 7/20 0.42
▸ KCNA3 P22001 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ KDM4D Q6B0I6 3/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ HTR1D P28221 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
SCHEMBL30180649 1.00 DRD2 (0.44) DRD2DRD3KCNA3F10KDM4D
SCHEMBL28580143 1.00 DRD2 (0.44) DRD2DRD3KCNA3F10KDM4D
SCHEMBL25017935 0.86 F10 (0.41) DRD2DRD3F10KDM1AMAOB
SCHEMBL30180569 0.86 F10 (0.41) DRD2DRD3F10KDM1AMAOB
SCHEMBL28578367 0.86 F10 (0.41) DRD2DRD3F10KDM1AMAOB
SCHEMBL28583328 0.85 F10 (0.38) DRD2DRD3F10KDM1AMAOB
SCHEMBL28583330 0.85 F10 (0.38) DRD2DRD3F10KDM1AMAOB
SCHEMBL28582220 0.85 DRD2 (0.42) DRD2DRD3KCNA3KDM4DKDM1A
SCHEMBL28582219 0.85 DRD2 (0.42) DRD2DRD3KCNA3KDM4DKDM1A
SCHEMBL28575236 0.85 DRD2 (0.44) DRD2DRD3KCNA3F10KDM4D

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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