SCHEMBL23219128

SCHEMBL23219128

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(C#N)cc(C4CCOCC4)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 4/20 0.37
TBXAS1 P24557 1/20 0.32
F11 P03951 3/20 0.31
KLKB1 P03952 3/20 0.31
F2 P00734 2/20 0.31
F9 P00740 2/20 0.31
F10 P00742 2/20 0.31
PLG P00747 2/20 0.31
PLAU P00749 2/20 0.31
PLAT P00750 2/20 0.31
F7 P08709 2/20 0.31
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 2/20 0.31
HTR4 Q13639 1/20 0.31
PPARD Q03181 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGS1 P23219 1/20 0.30
SLC18A2 Q05940 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL29852523 1.00 CFD (0.37) CFDTBXAS1F11KLKB1F2
SCHEMBL23218498 0.95 CFD (0.39) CFDTBXAS1F11KLKB1F2
SCHEMBL29852769 0.95 CFD (0.39) CFDTBXAS1F11KLKB1F2
SCHEMBL29853146 0.92 CFD (0.37) CFDTBXAS1MAPK1KCNH2HTR4
SCHEMBL23218774 0.92 CFD (0.37) CFDTBXAS1MAPK1KCNH2HTR4
SCHEMBL23218766 0.89 CFD (0.47) CFDTBXAS1F11KLKB1F2
SCHEMBL29852868 0.89 CFD (0.47) CFDTBXAS1F11KLKB1F2
SCHEMBL23219205 0.86 CFD (0.41) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL29852724 0.86 CFD (0.41) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL23218920 0.85 CFD (0.37) CFDTBXAS1MAPK1PPARDHTT

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