SCHEMBL21828569

SCHEMBL21828569

CC(C)O[C@@H](C=O)N1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL3600031 0.82 OPRD1 (0.33)
SCHEMBL3591820 0.78 SMN1; SMN2 (0.35) SIGMAR1SMN1; SMN2CHRM5CHRM3
SCHEMBL3590885 0.77 SLC6A2 (0.33) SIGMAR1SMN1; SMN2SLC6A2SLC6A4KCNH2
SCHEMBL596638 0.77 SIGMAR1 (0.31) SIGMAR1
SCHEMBL3582551 0.77 SIGMAR1 (0.31) SIGMAR1
SCHEMBL8183817 0.76 SIGMAR1 (0.30) SIGMAR1
SCHEMBL1819138 0.74 CHRM2 (0.34) SIGMAR1CHRM2CHRM1SLC6A2SLC6A4
SCHEMBL654110 0.70 ADRB1 (0.49) SIGMAR1SLC6A2SLC6A4
SCHEMBL27513984 0.69 CHRM2 (0.32) CHRM2CHRM1CHRM5CHRM3
SCHEMBL361322 0.69 MEN1 (0.35)

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-3861000-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE Genzyme Corporation (US) 2021-08-11 EP disclosed
WO-2020072504-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION (US) 2020-04-09 WO disclosed