SCHEMBL21881963

SCHEMBL21881963

CCCC(CNC(C#N)CC)CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.38
CTSS P25774 4/20 0.38
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2D6 P10635 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
SCHEMBL28561981 1.00 CTSK (0.38) CTSKCTSSCA12CA1CA2
SCHEMBL28575568 1.00 CTSK (0.38) CTSKCTSSCA12CA1CA2
SCHEMBL28575572 1.00 CTSK (0.38) CTSKCTSSCA12CA1CA2
SCHEMBL29195932 0.85 CTSK (0.39) CTSKCTSSCA12CA1CA2
SCHEMBL30854777 0.85 CTSK (0.39) CTSKCTSSCA12CA1CA2
SCHEMBL28567457 0.80 CTSC (0.35) CTSKCYP2D6
SCHEMBL28567458 0.80 CTSC (0.35) CTSKCYP2D6
SCHEMBL21894648 0.80 CTSS (0.46) CTSKCTSSCA12CA1CA2
SCHEMBL23405885 0.77 CA1 (0.34) CTSKCTSSCA12CA1CA2
SCHEMBL23405884 0.77 CA1 (0.34) CTSKCTSSCA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739683-A Preparation method and intermediate of brivaracetam 上海宣泰医药科技股份有限公司 2021-04-30 CN disclosed
WO-2020051796-A1 PREPARATION METHOD FOR BRIVARACETAM AND INTERMEDIATE THEREOF 上海宣泰医药科技有限公司 2020-03-19 WO disclosed
WO-2020052545-A1 METHOD FOR PREPARING BRIVARACETAM AND INTERMEDIATES THEREOF 上海宣泰医药科技有限公司 2020-03-19 WO disclosed