SCHEMBL29853067

SCHEMBL29853067

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cccc(CN)c3OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.48
ICMT O60725 10/20 0.39
DPP4 P27487 2/20 0.38
TBXAS1 P24557 1/20 0.36
TSPO P30536 1/20 0.33
F11 P03951 2/20 0.33
TPSB2 P20231 2/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
F7 P08709 1/20 0.33
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL23219133 1.00 CFD (0.48) CFDICMTDPP4TBXAS1TSPO
SCHEMBL23219240 0.92 CFD (0.46) CFDICMTDPP4TBXAS1TSPO
SCHEMBL29852825 0.92 CFD (0.46) CFDICMTDPP4TBXAS1TSPO
SCHEMBL29853006 0.92 CFD (0.49) CFDICMTDPP4TBXAS1F11
SCHEMBL23218974 0.92 CFD (0.49) CFDICMTDPP4TBXAS1F11
SCHEMBL29346719 0.91 CFD (0.43) CFDICMTDPP4F11TPSB2
SCHEMBL23218684 0.91 CFD (0.49) CFDICMTDPP4TBXAS1F11
SCHEMBL23218313 0.91 CFD (0.49) CFDICMTDPP4TBXAS1F11
SCHEMBL23218948 0.91 CFD (0.51) CFDICMTDPP4TBXAS1F11
SCHEMBL29852780 0.91 CFD (0.49) CFDICMTDPP4TBXAS1F11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed