SCHEMBL28583328

SCHEMBL28583328

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.38
▸ DRD2 P14416 5/20 0.38
▸ PLAU P00749 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ ST14 Q9Y5Y6 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ USP14 P54578 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
SCHEMBL28583330 1.00 F10 (0.38) F10DRD2PLAUDRD3KDM1A
SCHEMBL28578367 0.94 F10 (0.41) F10DRD2DRD3KDM1AMAOB
SCHEMBL25017935 0.94 F10 (0.41) F10DRD2DRD3KDM1AMAOB
SCHEMBL30180569 0.94 F10 (0.41) F10DRD2DRD3KDM1AMAOB
SCHEMBL28588827 0.91 F10 (0.37) F10DRD2DRD3KDM1AMAOB
SCHEMBL28588823 0.91 F10 (0.37) F10DRD2DRD3KDM1AMAOB
SCHEMBL30180745 0.91 F10 (0.37) F10DRD2DRD3KDM1AMAOB
SCHEMBL28580784 0.89 F10 (0.36) F10DRD2DRD3KDM1AMAOB
SCHEMBL28580786 0.89 F10 (0.36) F10DRD2DRD3KDM1AMAOB
SCHEMBL30180691 0.89 F10 (0.36) F10DRD2DRD3KDM1AMAOB

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
Send feedback