SCHEMBL23218774

SCHEMBL23218774

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(C#N)cc(C4CCN(C)CC4)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.37
TBXAS1 P24557 1/20 0.34
PPARD Q03181 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HTR4 Q13639 4/20 0.31
MAPK1 P28482 1/20 0.31
MAP4K1 Q92918 1/20 0.31
MCHR1 Q99705 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31

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
SCHEMBL29853146 1.00 CFD (0.37) CFDTBXAS1PPARDHTTHSD17B10
SCHEMBL23218498 0.95 CFD (0.39) CFDTBXAS1PPARDHTTHSD17B10
SCHEMBL29852769 0.95 CFD (0.39) CFDTBXAS1PPARDHTTHSD17B10
SCHEMBL29852523 0.92 CFD (0.37) CFDTBXAS1PPARDHTTHSD17B10
SCHEMBL23219128 0.92 CFD (0.37) CFDTBXAS1PPARDHTTHSD17B10
SCHEMBL23218474 0.89 CFD (0.47) CFDTBXAS1HTR4MAP4K1SYK
SCHEMBL29852461 0.89 CFD (0.47) CFDTBXAS1HTR4MAP4K1SYK
SCHEMBL23218596 0.86 CFD (0.37) CFDTBXAS1PPARDHTTHSD17B10
SCHEMBL29852582 0.86 CFD (0.37) CFDTBXAS1PPARDHTTHSD17B10
SCHEMBL23219205 0.86 CFD (0.41) CFDTBXAS1PPARDHTTHSD17B10

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