SCHEMBL8499683

SCHEMBL8499683

CC(C)(C)OC(=O)C(CCN1CCNC(=O)C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CCR5 P51681 3/20 0.37
THRB P10828 3/20 0.36
TRPV4 Q9HBA0 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KCNA3 P22001 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8501813 0.80 SMN1; SMN2 (0.37) L3MBTL1MAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6697273 0.76 MAPK1 (0.57) HTR1AMAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL5504851 0.73 TSHR (0.39) L3MBTL1MAPK1ALDH1A1THRBSMN1; SMN2
SCHEMBL7361998 0.72 TSHR (0.38) L3MBTL1MAPK1ALDH1A1THRBSMN1; SMN2
SCHEMBL28271058 0.71 AAK1 (0.44) L3MBTL1GAAAAK1
SCHEMBL2291108 0.71 CTSK (0.44) L3MBTL1GAAAAK1CYP1A2CYP3A4
SCHEMBL28022205 0.71 AAK1 (0.44) L3MBTL1GAAAAK1
Ammonia Solution, Strong SCHEMBL28118901 0.70 AAK1 (0.43) L3MBTL1GAAAAK1
SCHEMBL28246353 0.70 AAK1 (0.42) L3MBTL1GAAAAK1
SCHEMBL8893618 0.70 KIF11 (0.44) AAK1

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-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed