SCHEMBL28795484

SCHEMBL28795484

CC(C)(C)OC(=O)N1CCCC1(C)C(=O)OCC1(CBr)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
CTSK P43235 1/20 0.33
JAK3 P52333 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16757261 0.89 GRIN2B (0.35) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL8950892 0.83 GRIN2B (0.38) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL3267126 0.81 GRIN2B (0.41) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL18568275 0.81 TACR1 (0.41)
SCHEMBL26694693 0.80 GRIN2B (0.36) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL28905698 0.80 GRIN2B (0.41) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL28507462 0.79 JAK3 (0.32) GRIN2BGRIN2CCTSKJAK3
SCHEMBL28511913 0.79 CTSK (0.42) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL3000663 0.78 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL10039817 0.78 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2

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-114805311-A Spirocyclic indenes 苏州亚盛药业有限公司 2022-07-29 CN disclosed