SCHEMBL23229136

SCHEMBL23229136

CCOC(=O)Cc1ccccc1OCc1coc2c(OCCN3CCOCC3)cc(-c3cccc(C)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TBXAS1 P24557 1/20 0.40
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
PPARG P37231 2/20 0.39
POLB P06746 2/20 0.38
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23229137 0.92 KDM4E (0.44) L3MBTL1KDM4EDRD1DRD4DRD5
SCHEMBL29852605 0.92 CFD (0.46) L3MBTL1KDM4ETBXAS1DRD1DRD4
SCHEMBL23218955 0.92 CFD (0.46) L3MBTL1KDM4ETBXAS1DRD1DRD4
SCHEMBL23218348 0.87 POLB (0.44) KDM4ETBXAS1DRD1DRD4DRD5
SCHEMBL29852804 0.87 POLB (0.44) KDM4ETBXAS1DRD1DRD4DRD5
SCHEMBL29853035 0.81 CFD (0.54) L3MBTL1KDM4EDRD1DRD4DRD5
SCHEMBL23218694 0.81 CFD (0.54) L3MBTL1KDM4EDRD1DRD4DRD5
SCHEMBL29852375 0.81 CFD (0.48) KDM4EALDH1A1CYP2D6
SCHEMBL23218164 0.81 CFD (0.48) KDM4EALDH1A1CYP2D6
SCHEMBL23218611 0.79 CFD (0.45) TBXAS1

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-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed