SCHEMBL23219227

SCHEMBL23219227

Cn1nc(COc2ccccc2CC(=O)OC(C)(C)C)c2cc(-c3cccc(CN)c3)c3occc3c21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFD P00746 18/20 0.46
F11 P03951 2/20 0.42
TPSB2 P20231 2/20 0.42
PLAU P00749 2/20 0.42
PLG P00747 1/20 0.42
KLKB1 P03952 1/20 0.42
F7 P08709 1/20 0.42
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL29852833 1.00 CFD (0.46) CFDF11TPSB2PLAUPLG
SCHEMBL29853068 0.90 CFD (0.55) CFDF11TPSB2PLAUPLG
SCHEMBL23219053 0.90 CFD (0.55) CFDF11TPSB2PLAUPLG
SCHEMBL29853043 0.85 MTNR1A (0.34) CFDMTNR1AMTNR1B
SCHEMBL23219189 0.85 MTNR1A (0.34) CFDMTNR1AMTNR1B
SCHEMBL23218462 0.83 CFD (0.47) CFDF11TPSB2PLAUPLG
SCHEMBL29852707 0.83 CFD (0.47) CFDF11TPSB2PLAUPLG
SCHEMBL23241814 0.82 CFD (0.44) CFDF11TPSB2PLAUPLG
SCHEMBL28772704 0.77 CFD (0.46) CFDF11TPSB2PLAUPLG
SCHEMBL30009702 0.77 CFD (0.46) CFDF11TPSB2PLAUPLG

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 2 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