SCHEMBL23218815

SCHEMBL23218815

COc1ccc(CC(=O)O)c(OCc2nn(C)c3ccc(-c4ccnc(CN)c4F)cc23)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.37
CD274 Q9NZQ7 1/20 0.36
CFD P00746 2/20 0.36
PDE10A Q9Y233 2/20 0.36
SCN9A Q15858 1/20 0.36
CSF1R P07333 2/20 0.34
PDGFRB P09619 2/20 0.34
P2RX3 P56373 2/20 0.34
AKR1C2 P52895 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1C4 P17516 1/20 0.33
PTGS1 P23219 1/20 0.33
NAMPT P43490 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ICMT O60725 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
SCHEMBL29593254 1.00 AKR1C3 (0.37) AKR1C3CD274CFDPDE10ASCN9A
SCHEMBL23218950 0.92 DPP4 (0.39) CFDPDE10ASCN9ACSF1RPDGFRB
SCHEMBL29852921 0.92 DPP4 (0.39) CFDPDE10ASCN9ACSF1RPDGFRB
SCHEMBL29591865 0.90 CFD (0.43) AKR1C3CD274CFDSCN9AP2RX3
SCHEMBL23218951 0.90 CFD (0.43) AKR1C3CD274CFDSCN9AP2RX3
SCHEMBL23218722 0.86 CSF1R (0.34) AKR1C3CFDPDE10ASCN9ACSF1R
SCHEMBL29592684 0.85 CFD (0.37) AKR1C3CFDPDE10ACSF1RPDGFRB
SCHEMBL23218690 0.85 CFD (0.37) AKR1C3CFDPDE10ACSF1RPDGFRB
SCHEMBL28736114 0.83 AKR1C3 (0.33) AKR1C3CFDSCN9ACSF1RPDGFRB
SCHEMBL29121568 0.83 P2RX3 (0.37) AKR1C3CD274CFDSCN9ACSF1R

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