SCHEMBL28697404

SCHEMBL28697404

CC(C)(C)OC(=O)N1CCN(c2cc(F)c(CCNC(=O)OCc3ccccc3)cc2F)CC1c1cc(F)c(CCNC(=O)OCc2ccccc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
CHRM4 P08173 1/20 0.40
NR1H2 P55055 6/20 0.38
NR1H3 Q13133 5/20 0.38
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
CHRM2 P08172 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 1/20 0.36
PTPN1 P18031 1/20 0.36
GHSR Q92847 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MAPT P10636 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
SCHEMBL28698477 0.85 BACE1 (0.47) ABCB1SIGMAR1L3MBTL1MAPT
SCHEMBL29576850 0.82 ABCB1 (0.42) ABCB1CHRM4RORCMAPT
SCHEMBL21457808 0.82 ABCB1 (0.42) ABCB1CHRM4RORCMAPT
SCHEMBL29707321 0.79 ABCB1 (0.39) ABCB1CHRM4L3MBTL1RORCMAPT
SCHEMBL19212145 0.78 GRM5 (0.45) L3MBTL1MAPT
SCHEMBL28673972 0.77 LMNA (0.46) L3MBTL1MAPT
SCHEMBL29707383 0.76 MAPT (0.38) ABCB1CHRM4RORCMAPT
SCHEMBL28931799 0.76 NR1H2 (0.51) ABCB1NR1H2NR1H3TMEM97SIGMAR1
SCHEMBL28683499 0.75 BACE1 (0.47) L3MBTL1MAPT
SCHEMBL19212126 0.75 LMNA (0.40) CHRM4L3MBTL1MAPT

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-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed