SCHEMBL19212437

SCHEMBL19212437

CC(C)(C)OC(=O)NCCc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.48
TMEM97 Q5BJF2 14/20 0.48
HTR1A P08908 2/20 0.45
ADRA2C P18825 2/20 0.45
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD1 P21728 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1E P28566 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL19212187 0.86 SIGMAR1 (0.46) SIGMAR1TMEM97HTR1AADRA2CHRH2
SCHEMBL28681451 0.86 SIGMAR1 (0.46) SIGMAR1TMEM97
SCHEMBL21591743 0.84 SIGMAR1 (0.48) SIGMAR1TMEM97HTR1AADRA2CHRH2
SCHEMBL19211125 0.84 SIGMAR1 (0.52) SIGMAR1TMEM97HTR1AADRA2CHRH2
SCHEMBL28258183 0.82 FAAH (0.42) SIGMAR1TMEM97
Piperazine SCHEMBL28256695 0.82 FAAH (0.41) SIGMAR1TMEM97
SCHEMBL22957578 0.80 ACACB (0.42)
SCHEMBL19211083 0.77 SMN1; SMN2 (0.52) SIGMAR1
SCHEMBL28698227 0.77 MAPT (0.48) SIGMAR1
SCHEMBL16399970 0.76 HTT (0.56)

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 3 patents. 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
EP-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 WO disclosed