SCHEMBL21063452

SCHEMBL21063452

COC(=O)c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.52
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ PDE4B Q07343 4/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL29220935 0.91 GPR119 (0.56) GPR119DDB1CRBNPDE4BUSP30
SCHEMBL1698741 0.88 GPR119 (0.60) GPR119DDB1CRBNPDE4BUSP30
SCHEMBL29220941 0.87 USP30 (0.46) GPR119DDB1CRBNPDE4BUSP30
Lithium Ion SCHEMBL21063388 0.85 DDB1 (0.44) GPR119DDB1CRBNPDE4BUSP30
SCHEMBL25093966 0.83 GPR119 (0.50) GPR119MAPK1USP30NR1H2HRH3
SCHEMBL30019202 0.83 GPR119 (0.50) GPR119MAPK1USP30NR1H2HRH3
SCHEMBL21381699 0.82 PIK3CA (0.50) GPR119DDB1CRBNPDE4BUSP30
SCHEMBL30567990 0.82 PIK3CA (0.50) GPR119DDB1CRBNPDE4BUSP30
SCHEMBL31639929 0.82 DDB1 (0.47) GPR119DDB1CRBNPDE4BNAMPT
SCHEMBL20757383 0.81 DDB1 (0.46) GPR119DDB1CRBNPDE4BNAMPT

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
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 — — WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 — — WO disclosed
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