SCHEMBL23219030

SCHEMBL23219030

CCOC(=O)Cc1ccc(OC)cc1OCc1nn(C)c2ccc(-c3cccc(CN)c3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.42
DPP4 P27487 2/20 0.37
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 3/20 0.34
ELANE P08246 2/20 0.34
P2RX3 P56373 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ICMT O60725 2/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 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
SCHEMBL29853133 1.00 CFD (0.42) CFDDPP4MAPTALDH1A1CD274
SCHEMBL23218950 0.91 DPP4 (0.39) CFDDPP4MAPTALDH1A1KDM4E
SCHEMBL29852921 0.91 DPP4 (0.39) CFDDPP4MAPTALDH1A1KDM4E
SCHEMBL29591865 0.91 CFD (0.43) CFDMAPTCD274SCN9AP2RX3
SCHEMBL23218951 0.91 CFD (0.43) CFDMAPTCD274SCN9AP2RX3
SCHEMBL23218829 0.87 CFD (0.52) CFDDPP4MAPTALDH1A1KDM4E
SCHEMBL29852718 0.87 CFD (0.52) CFDDPP4MAPTALDH1A1KDM4E
SCHEMBL29122309 0.86 CFD (0.37) CFDDPP4MAPTALDH1A1KDM4E
SCHEMBL23218704 0.84 CFD (0.39) CFDDPP4MAPTALDH1A1KDM4E
SCHEMBL29340341 0.83 P2RX3 (0.42) CFDMAPTALDH1A1KDM4EGLA

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