SCHEMBL19212232

SCHEMBL19212232

COc1cc(N2CCN(C(=O)OCc3ccccc3)CC2)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 16/20 0.57
SIGMAR1 Q99720 16/20 0.57
HRH1 P35367 5/20 0.57
HRH3 Q9Y5N1 5/20 0.57
HRH2 P25021 4/20 0.57
HTR1A P08908 2/20 0.57
ADRA2C P18825 2/20 0.57
ADRA2A P08913 2/20 0.57
ADRA2B P18089 2/20 0.57
HTR2C P28335 2/20 0.57
HTR1E P28566 2/20 0.57
DRD1 P21728 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR2B P41595 1/20 0.57
ADRB1 P08588 1/20 0.51
CHRM1 P11229 1/20 0.48
SLC6A2 P23975 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL1291301 0.87 TMEM97 (0.57) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL19212195 0.83 TMEM97 (0.53) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5669206 0.81 TMEM97 (0.58) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL14215798 0.81 TMEM97 (0.53) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL975238 0.81 NPSR1 (0.60) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL17310201 0.81 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL4865513 0.81 LMNA (0.45) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL29446179 0.80 TMEM97 (0.59) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL17164796 0.80 TMEM97 (0.59) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL9727540 0.79 NPSR1 (0.68) TMEM97SIGMAR1HRH1HRH3HRH2

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