SCHEMBL30476259

SCHEMBL30476259

CC(C)(C)OC(=O)N1CC(n2c(=O)oc3ccc(Br)cc32)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.44
FPR2 P25090 5/20 0.43
BACE1 P56817 4/20 0.39
RORC P51449 2/20 0.39
FPR3 P25089 1/20 0.37
NAMPT P43490 1/20 0.36
PIK3CA P42336 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KRAS P01116 1/20 0.35

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
SCHEMBL31089975 0.79 USP30 (0.41) USP30FPR2BACE1RORCFPR3
SCHEMBL25310765 0.79 USP30 (0.41) USP30FPR2BACE1RORCFPR3
SCHEMBL25867651 0.78 SIGMAR1 (0.40)
SCHEMBL15333264 0.76 USP30 (0.45) USP30FPR2BACE1RORCPIK3CA
SCHEMBL25310581 0.75 NPC1 (0.40) ALDH1A1
SCHEMBL2606334 0.73 HSD11B1 (0.57)
SCHEMBL25866149 0.73 CBX7 (0.38) ALDH1A1
SCHEMBL20046204 0.72 FPR2 (0.48) USP30FPR2RORCFPR3PIK3CA
SCHEMBL20046209 0.72 USP30 (0.44) USP30FPR2RORCFPR3PIK3CA
SCHEMBL15819673 0.72 HCAR1 (0.45) USP30FPR2BACE1RORCFPR3

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-116332937-A Dipeptidyl peptidase I inhibitors and uses thereof 杭州邦顺制药有限公司 2023-06-27 CN disclosed