SCHEMBL23329477

SCHEMBL23329477

CC(C)(C)OC(=O)N1CC(CSc2ccc(Br)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.46
NAMPT P43490 1/20 0.46
RORC P51449 3/20 0.45
NR1H2 P55055 1/20 0.44
FPR2 P25090 5/20 0.43
FPR3 P25089 3/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23330154 0.90 FPR2 (0.47) USP30RORCFPR2FPR3GPR119
SCHEMBL17394099 0.88 FPR2 (0.50) RORCFPR2FPR3GPR119ALDH1A1
SCHEMBL5453826 0.88 GPR119 (0.51) FPR2FPR3GPR119ALDH1A1
SCHEMBL12284229 0.81 RORC (0.48) USP30NAMPTRORCNR1H2FPR2
SCHEMBL23167791 0.80 NAMPT (0.48) USP30NAMPTRORCNR1H2FPR2
SCHEMBL15300717 0.78 SLC5A1 (0.47) USP30NAMPTRORCNR1H2FPR2
SCHEMBL9023290 0.78 KDM4E (0.55) USP30NAMPTGPR119
SCHEMBL23329451 0.77 RORC (0.43) RORCFPR2FPR3GPR119ALDH1A1
SCHEMBL18779676 0.76 NAMPT (0.45) USP30NAMPTRORCNR1H2FPR2
SCHEMBL16013925 0.76 FPR3 (0.50) USP30FPR2FPR3ALDH1A1MEN1

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
WO-2021083209-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-05-06 WO disclosed