SCHEMBL23219087

SCHEMBL23219087

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(CN)cc(OCc4cccnc4)c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 7/20 0.48
F11 P03951 4/20 0.37
TPSB2 P20231 4/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
F7 P08709 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
TBXAS1 P24557 1/20 0.35
SLC1A5 Q15758 1/20 0.35
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
PRMT5 O14744 1/20 0.34
SSTR5 P35346 1/20 0.33
ICMT O60725 1/20 0.33
PTGER1 P34995 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
SCHEMBL29852733 1.00 CFD (0.48) CFDF11TPSB2PLGPLAU
SCHEMBL23219198 0.92 CFD (0.47) CFDF11TPSB2PLGPLAU
SCHEMBL29852922 0.92 CFD (0.47) CFDF11TPSB2PLGPLAU
SCHEMBL29852822 0.90 CFD (0.39) CFDHTR1ADRD2TBXAS1SLC1A5
SCHEMBL23219250 0.90 CFD (0.39) CFDHTR1ADRD2TBXAS1SLC1A5
SCHEMBL23218809 0.87 CFD (0.52) CFDF11TPSB2PLGPLAU
SCHEMBL29852792 0.87 CFD (0.52) CFDF11TPSB2PLGPLAU
SCHEMBL23219243 0.86 CFD (0.62) CFDF11TPSB2PLGPLAU
SCHEMBL29853182 0.86 CFD (0.62) CFDF11TPSB2PLGPLAU
SCHEMBL23218719 0.85 CFD (0.41) CFDNOS3NOS1NOS2TBXAS1

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