SCHEMBL28674236

SCHEMBL28674236

CC(C)(C)OC(=O)N1CCOC(C(F)(F)c2cccc(Br)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.43
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP30 Q70CQ3 8/20 0.40
▸ RORC P51449 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ BACE1 P56817 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
SCHEMBL28654933 0.87 USP30 (0.40) EPHA2USP2SMN1; SMN2USP30RORC
SCHEMBL29861418 0.80 USP2 (0.40) EPHA2USP2SMN1; SMN2USP30RORC
SCHEMBL23326772 0.80 USP2 (0.40) EPHA2USP2SMN1; SMN2USP30RORC
SCHEMBL26105464 0.80 USP2 (0.43) EPHA2USP2SMN1; SMN2RORCGPR119
SCHEMBL26104643 0.80 USP2 (0.43) EPHA2USP2SMN1; SMN2RORCGPR119
SCHEMBL1552614 0.78 EPHA2 (0.51) EPHA2USP2SMN1; SMN2USP30GPR119
SCHEMBL1552612 0.78 EPHA2 (0.51) EPHA2USP2SMN1; SMN2USP30GPR119
SCHEMBL28659302 0.77 EPHA2 (0.44) EPHA2USP2SMN1; SMN2USP30RORC
SCHEMBL29861237 0.76 USP2 (0.39) USP2SMN1; SMN2USP30RORCGPR119
SCHEMBL23326749 0.76 USP2 (0.39) USP2SMN1; SMN2USP30RORCGPR119

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-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 — — CN disclosed
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