SCHEMBL23218174

SCHEMBL23218174

NCc1cccc(-c2cc(CN3CC[C@H](F)C3)c3occ(COc4ccccc4CC(=O)O)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFD P00746 19/20 0.54
F11 P03951 10/20 0.54
TPSB2 P20231 8/20 0.54
KLKB1 P03952 3/20 0.54
PLAU P00749 2/20 0.54
PLG P00747 1/20 0.54
F7 P08709 1/20 0.54

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
SCHEMBL28736104 1.00 CFD (0.54) CFDF11TPSB2KLKB1PLAU
SCHEMBL29853116 1.00 CFD (0.54) CFDF11TPSB2KLKB1PLAU
SCHEMBL29853172 0.91 CFD (0.46) CFDF11TPSB2KLKB1PLAU
SCHEMBL23229206 0.91 CFD (0.46) CFDF11TPSB2KLKB1PLAU
SCHEMBL29852702 0.89 CFD (0.59) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218041 0.89 CFD (0.59) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218808 0.88 CFD (0.57) CFDF11TPSB2KLKB1PLAU
SCHEMBL29853120 0.88 CFD (0.57) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218274 0.87 CFD (0.54) CFDF11TPSB2KLKB1PLAU
SCHEMBL23219067 0.87 CFD (0.54) CFDF11TPSB2KLKB1PLAU

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