SCHEMBL28572933

SCHEMBL28572933

Cc1ccc(C)c(Cn2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(O)c2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.68
▸ EGLN1 Q9GZT9 4/20 0.68
▸ ALDH1A1 P00352 2/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ COMT P21964 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ IDO2 Q6ZQW0 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL28567439 0.92 VEGFA (0.68) VEGFAEGLN1COMTIDO1TDO2
SCHEMBL17005844 0.89 VEGFA (0.53) VEGFAEGLN1ALDH1A1DRD2DRD4
SCHEMBL17005838 0.89 ALDH1A1 (0.54) VEGFAEGLN1ALDH1A1TP53LMNA
SCHEMBL28586368 0.88 VEGFA (0.71) VEGFAEGLN1ALDH1A1LMNAMEN1
SCHEMBL28570561 0.87 VEGFA (0.79) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28562999 0.87 VEGFA (0.85) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL4502120 0.87 VEGFA (0.49) VEGFAEGLN1ALDH1A1DRD2DRD4
SCHEMBL28567368 0.86 VEGFA (0.77) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL17005902 0.86 VEGFA (0.53) VEGFAEGLN1ALDH1A1DRD2DRD4
SCHEMBL28913769 0.86 VEGFA (0.73) VEGFAEGLN1ALDH1A1IDO1TDO2

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-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 — — CN disclosed
Send feedback