SCHEMBL29205709

SCHEMBL29205709

CCOC(=O)c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.52
▸ GPR174 Q9BXC1 3/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PDE4D Q08499 3/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL21612831 0.90 GPR119 (0.52) GPR119GPR174MAPTALDH1A1PDE4D
SCHEMBL28983491 0.90 GPR119 (0.47) GPR119GPR174MAPTALDH1A1SMN1; SMN2
SCHEMBL29686047 0.88 GPR119 (0.54) GPR119GPR174MAPTALDH1A1SMN1; SMN2
SCHEMBL21612824 0.88 GPR119 (0.54) GPR119GPR174MAPTALDH1A1SMN1; SMN2
SCHEMBL21612833 0.82 PDE4D (0.47) GPR119MAPTALDH1A1SMN1; SMN2PDE4D
SCHEMBL5864805 0.81 PDE4D (0.50) GPR119MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL28983495 0.81 GPR119 (0.49) GPR119MAPTALDH1A1PDE4DPDE4A
SCHEMBL29685176 0.79 PDE4D (0.41) GPR119MEN1KMT2APDE4DPDE4A
SCHEMBL21612843 0.79 PDE4B (0.45) GPR119MAPTALDH1A1PDE4DPDE4A
SCHEMBL21612772 0.79 PDE4B (0.44) GPR119MAPTALDH1A1PDE4DPDE4A

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
CN-115803326-B EGFR inhibitor, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-03-26 — — CN disclosed
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