SCHEMBL23218112

SCHEMBL23218112

CCOC(=O)Cc1ccccc1OCc1coc2c(CN3CCC(F)(F)C3)cc(-c3cccc(CN)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFD P00746 15/20 0.46
F11 P03951 6/20 0.42
TPSB2 P20231 6/20 0.42
PLAU P00749 2/20 0.42
KLKB1 P03952 2/20 0.42
PLG P00747 1/20 0.42
F7 P08709 1/20 0.42
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL29852590 1.00 CFD (0.46) CFDF11TPSB2PLAUKLKB1
SCHEMBL23218398 0.96 CFD (0.47) CFDF11TPSB2PLAUKLKB1
SCHEMBL29852824 0.96 CFD (0.47) CFDF11TPSB2PLAUKLKB1
SCHEMBL29853163 0.91 CFD (0.53) CFDF11TPSB2PLAUKLKB1
SCHEMBL23218601 0.91 CFD (0.53) CFDF11TPSB2PLAUKLKB1
SCHEMBL23218622 0.89 CFD (0.49) CFDF11TPSB2PLAUKLKB1
SCHEMBL29852347 0.89 CFD (0.49) CFDF11TPSB2PLAUKLKB1
SCHEMBL23218099 0.88 CFD (0.48) CFDF11TPSB2PLAUKLKB1
SCHEMBL23218164 0.88 CFD (0.48) CFDF11TPSB2PLAUKLKB1
SCHEMBL29852754 0.88 CFD (0.48) CFDF11TPSB2PLAUKLKB1

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