SCHEMBL23218684

SCHEMBL23218684

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cccc(CN)c3O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 5/20 0.49
TBXAS1 P24557 1/20 0.37
ICMT O60725 7/20 0.36
DPP4 P27487 2/20 0.35
F11 P03951 2/20 0.34
TPSB2 P20231 2/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
F7 P08709 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
AHR P35869 1/20 0.34
DHFR P00374 1/20 0.33
SCN9A Q15858 1/20 0.32
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
SCHEMBL29852780 1.00 CFD (0.49) CFDTBXAS1ICMTDPP4F11
SCHEMBL23218974 0.93 CFD (0.49) CFDTBXAS1ICMTDPP4F11
SCHEMBL29853006 0.93 CFD (0.49) CFDTBXAS1ICMTDPP4F11
SCHEMBL29852743 0.92 CFD (0.49) CFDTBXAS1ICMTDPP4F11
SCHEMBL23218948 0.92 CFD (0.51) CFDTBXAS1ICMTDPP4F11
SCHEMBL29852624 0.92 CFD (0.51) CFDTBXAS1ICMTDPP4F11
SCHEMBL23218313 0.92 CFD (0.49) CFDTBXAS1ICMTDPP4F11
SCHEMBL23219133 0.91 CFD (0.48) CFDTBXAS1ICMTDPP4F11
SCHEMBL29853067 0.91 CFD (0.48) CFDTBXAS1ICMTDPP4F11
SCHEMBL23218520 0.90 CFD (0.43) CFDICMTF11TPSB2PLG

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