SCHEMBL21661371

SCHEMBL21661371

CC(C)(C)OC(=O)N1CC[C@@](F)(CN)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC2 Q92769 2/20 0.39
CYP11B2 P19099 1/20 0.38
USP30 Q70CQ3 2/20 0.38
RORC P51449 3/20 0.37
NR1H2 P55055 1/20 0.37
SCD5 Q86SK9 1/20 0.37
HDAC1 Q13547 1/20 0.36
HPGD P15428 1/20 0.36
TACR1 P25103 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
EPHX2 P34913 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
SCHEMBL21645085 1.00 USP2 (0.41) USP2SMN1; SMN2HDAC2CYP11B2USP30
SCHEMBL13993955 1.00 USP2 (0.41) USP2SMN1; SMN2HDAC2CYP11B2USP30
SCHEMBL12180144 0.91 HPGD (0.40) USP2SMN1; SMN2HDAC2USP30NR1H2
SCHEMBL14242637 0.91 HPGD (0.40) USP2SMN1; SMN2HDAC2USP30NR1H2
SCHEMBL343979 0.91 USP2 (0.47) USP2SMN1; SMN2HDAC2NR1H2HDAC1
SCHEMBL13779824 0.87 USP2 (0.42) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL16797307 0.86 USP2 (0.42) USP2SMN1; SMN2HDAC2CYP11B2USP30
SCHEMBL21216177 0.86 USP2 (0.42) USP2SMN1; SMN2HDAC2CYP11B2USP30
SCHEMBL19459465 0.86 USP2 (0.42) USP2SMN1; SMN2HDAC2CYP11B2USP30
SCHEMBL28864062 0.86 USP2 (0.42) USP2SMN1; SMN2HDAC2CYP11B2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513024-A TLR7/8 antagonists and uses thereof 默克专利股份公司 2021-03-16 CN disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed