SCHEMBL28680705

SCHEMBL28680705

CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC(NC(=O)CCl)C3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAMPT P43490 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2C19 P33261 1/20 0.48
GPR119 Q8TDV5 7/20 0.47
TSHR P16473 1/20 0.47
ALOX5 P09917 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.43
NR2F2 P24468 1/20 0.43

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
SCHEMBL28693254 0.85 NR1H2 (0.49) SMN1; SMN2HTTNPSR1NAMPT
SCHEMBL19212238 0.83 MAPT (0.42) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL19212239 0.81 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL19212456 0.81 SMN1; SMN2 (0.52) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL31715873 0.80 NAMPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL5573222 0.77 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL12676600 0.77 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL5462598 0.77 GPR119 (0.58) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL30366165 0.75 GPR119 (0.56) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL4206232 0.75 EPHX1 (0.63) MAPTLMNAALDH1A1HTTMEN1

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
EP-3414252-B1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO HEALTH INC (US) 2022-07-06 EP disclosed
CN-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed