SCHEMBL23218809

SCHEMBL23218809

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(O)cc(CN)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 14/20 0.52
F11 P03951 9/20 0.39
TPSB2 P20231 9/20 0.39
PLG P00747 2/20 0.39
PLAU P00749 2/20 0.39
KLKB1 P03952 2/20 0.39
F7 P08709 2/20 0.39
TBXAS1 P24557 1/20 0.37
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
PLAT P00750 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC18A2 Q05940 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL29852792 1.00 CFD (0.52) CFDF11TPSB2PLGPLAU
SCHEMBL23219243 0.92 CFD (0.62) CFDF11TPSB2PLGPLAU
SCHEMBL29853182 0.92 CFD (0.62) CFDF11TPSB2PLGPLAU
SCHEMBL29852913 0.92 CFD (0.55) CFDF11TPSB2PLGPLAU
SCHEMBL23219207 0.92 CFD (0.55) CFDF11TPSB2PLGPLAU
SCHEMBL23219083 0.90 CFD (0.50) CFDF11TPSB2PLGPLAU
SCHEMBL29592594 0.90 CFD (0.50) CFDF11TPSB2PLGPLAU
SCHEMBL23219142 0.90 CFD (0.49) CFDF11TPSB2PLGPLAU
SCHEMBL29852684 0.90 CFD (0.49) CFDF11TPSB2PLGPLAU
SCHEMBL23219123 0.89 CFD (0.48) CFDF11TPSB2PLGPLAU

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed