SCHEMBL23218596

SCHEMBL23218596

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(C#N)cc(C4=CCN(C)CC4)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.37
TBXAS1 P24557 1/20 0.33
WNT3A P56704 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
SYK P43405 1/20 0.31
PPARD Q03181 2/20 0.30
MET P08581 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL29852582 1.00 CFD (0.37) CFDTBXAS1WNT3AHTTHSD17B10
SCHEMBL23218920 0.89 CFD (0.37) CFDTBXAS1HTTHSD17B10MAPK1
SCHEMBL29853143 0.89 CFD (0.37) CFDTBXAS1HTTHSD17B10MAPK1
SCHEMBL29853146 0.86 CFD (0.37) CFDTBXAS1HTTHSD17B10HRH2
SCHEMBL23218774 0.86 CFD (0.37) CFDTBXAS1HTTHSD17B10HRH2
SCHEMBL23219205 0.85 CFD (0.41) CFDTBXAS1HTTHSD17B10MAPK1
SCHEMBL29852724 0.85 CFD (0.41) CFDTBXAS1HTTHSD17B10MAPK1
SCHEMBL23218498 0.85 CFD (0.39) CFDTBXAS1HTTHSD17B10HRH2
SCHEMBL29852769 0.85 CFD (0.39) CFDTBXAS1HTTHSD17B10HRH2
SCHEMBL29121929 0.85 CFD (0.40) CFDTBXAS1HTTHSD17B10MAPK1

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