SCHEMBL23219250

SCHEMBL23219250

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(C#N)cc(OCc4cccnc4)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.39
CYP11B1 P15538 2/20 0.34
TBXAS1 P24557 1/20 0.34
PRMT5 O14744 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
CYP11B2 P19099 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
RORC P51449 1/20 0.34
CXCR3 P49682 1/20 0.34
CD274 Q9NZQ7 3/20 0.33
PDCD1 Q15116 2/20 0.33
GPR132 Q9UNW8 2/20 0.33
KDM1A O60341 1/20 0.33
SLC1A5 Q15758 1/20 0.33
RET P07949 1/20 0.32

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
SCHEMBL29852822 1.00 CFD (0.39) CFDCYP11B1TBXAS1PRMT5HTR1A
SCHEMBL23219087 0.90 CFD (0.48) CFDTBXAS1PRMT5HTR1ADRD2
SCHEMBL29852733 0.90 CFD (0.48) CFDTBXAS1PRMT5HTR1ADRD2
SCHEMBL29853147 0.89 CFD (0.41) CFDTBXAS1
SCHEMBL23218719 0.89 CFD (0.41) CFDTBXAS1
SCHEMBL29121929 0.88 CFD (0.40) CFDTBXAS1
SCHEMBL23218606 0.85 CFD (0.40) CFDTBXAS1HTR1ADRD2CD274
SCHEMBL29853115 0.85 CFD (0.40) CFDTBXAS1HTR1ADRD2CD274
SCHEMBL23219205 0.85 CFD (0.41) CFDTBXAS1
SCHEMBL29852724 0.85 CFD (0.41) CFDTBXAS1

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