SCHEMBL23218951

SCHEMBL23218951

COc1ccc(CC(=O)O)c(OCc2nn(C)c3ccc(-c4cccc(CN)c4F)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.43
CD274 Q9NZQ7 1/20 0.42
AKR1C3 P42330 3/20 0.37
P2RX3 P56373 3/20 0.37
SCN9A Q15858 3/20 0.36
AKR1C2 P52895 1/20 0.36
PLAU P00749 2/20 0.36
ICMT O60725 1/20 0.36
PLG P00747 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
F7 P08709 1/20 0.36
TPSB2 P20231 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PPARD Q03181 1/20 0.35
GYS1 P13807 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL29591865 1.00 CFD (0.43) CFDCD274AKR1C3P2RX3SCN9A
SCHEMBL23219030 0.91 CFD (0.42) CFDCD274P2RX3SCN9AICMT
SCHEMBL29853133 0.91 CFD (0.42) CFDCD274P2RX3SCN9AICMT
SCHEMBL29593254 0.90 AKR1C3 (0.37) CFDCD274AKR1C3P2RX3SCN9A
SCHEMBL23218815 0.90 AKR1C3 (0.37) CFDCD274AKR1C3P2RX3SCN9A
SCHEMBL23218852 0.86 CFD (0.50) CFDP2RX3PLAUPLGF11
SCHEMBL29591491 0.86 CFD (0.50) CFDP2RX3PLAUPLGF11
SCHEMBL29121568 0.85 P2RX3 (0.37) CFDCD274AKR1C3P2RX3SCN9A
SCHEMBL23218690 0.83 CFD (0.37) CFDAKR1C3P2RX3AKR1C2PLAU
SCHEMBL29592684 0.83 CFD (0.37) CFDAKR1C3P2RX3AKR1C2PLAU

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