SCHEMBL21607887

SCHEMBL21607887

COc1ncccc1CN1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ PGGT1B P53609 1/20 0.44
▸ DTYMK P23919 1/20 0.44
▸ VEGFA P15692 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MPI P34949 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL3847987 0.93 POLB (0.52) POLBKDM4EALDH1A1HTTFNTA
SCHEMBL21608350 0.83 POLB (0.47) POLBKDM4EALDH1A1DTYMKVEGFA
SCHEMBL20818170 0.80 POLB (0.52) POLBKDM4EALDH1A1HTTDTYMK
SCHEMBL21607906 0.79 POLB (0.48) POLBKDM4EALDH1A1DTYMKOPRD1
SCHEMBL4752726 0.78 POLB (0.53) POLBKDM4EALDH1A1HTTDTYMK
SCHEMBL30476359 0.78 POLB (0.53) POLBKDM4EALDH1A1HTTDTYMK
SCHEMBL30476422 0.78 POLB (0.50) POLBKDM4EALDH1A1HTTDTYMK
SCHEMBL20817749 0.78 POLB (0.50) POLBKDM4EALDH1A1HTTDTYMK
SCHEMBL892981 0.77 ALDH1A1 (0.54) KDM4EALDH1A1VEGFAEGLN1OPRD1
SCHEMBL7274954 0.77 GPR119 (0.51) POLBKDM4EGPR119

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
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
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