SCHEMBL23219198

SCHEMBL23219198

CC(C)n1nc(COc2ccccc2CC(=O)O)c2cc(-c3cc(CN)cc(OCc4cccnc4)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 16/20 0.47
TPSB2 P20231 9/20 0.47
F11 P03951 9/20 0.47
PLAU P00749 3/20 0.47
PLG P00747 2/20 0.47
KLKB1 P03952 2/20 0.47
F7 P08709 2/20 0.47
F2 P00734 1/20 0.39
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
PLAT P00750 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC18A2 Q05940 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC1A5 Q15758 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL29852922 1.00 CFD (0.47) CFDTPSB2F11PLAUPLG
SCHEMBL23219087 0.92 CFD (0.48) CFDTPSB2F11PLAUPLG
SCHEMBL29852733 0.92 CFD (0.48) CFDTPSB2F11PLAUPLG
SCHEMBL29592594 0.86 CFD (0.50) CFDTPSB2F11PLAUPLG
SCHEMBL23219083 0.86 CFD (0.50) CFDTPSB2F11PLAUPLG
SCHEMBL23219211 0.86 CFD (0.62) CFDTPSB2F11PLAUPLG
SCHEMBL29593174 0.86 CFD (0.62) CFDTPSB2F11PLAUPLG
SCHEMBL23218585 0.84 CFD (0.53) CFDTPSB2F11PLAUPLG
SCHEMBL29591910 0.84 CFD (0.53) CFDTPSB2F11PLAUPLG
SCHEMBL23219242 0.82 CFD (0.47) CFDTPSB2F11PLAUPLG

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