SCHEMBL29853035

SCHEMBL29853035

NCc1cccc(-c2cc(OCCN3CCOCC3)c3occ(COc4ccccc4CC(=O)O)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 14/20 0.54
F11 P03951 8/20 0.54
TPSB2 P20231 7/20 0.54
KLKB1 P03952 2/20 0.54
PLAU P00749 2/20 0.54
PLG P00747 1/20 0.54
F7 P08709 1/20 0.54
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL23218694 1.00 CFD (0.54) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218955 0.91 CFD (0.46) CFDF11TPSB2KLKB1PLAU
SCHEMBL29852605 0.91 CFD (0.46) CFDF11TPSB2KLKB1PLAU
SCHEMBL23229137 0.89 KDM4E (0.44) CFDF11TPSB2KLKB1PLAU
SCHEMBL29853120 0.89 CFD (0.57) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218808 0.89 CFD (0.57) CFDF11TPSB2KLKB1PLAU
SCHEMBL29852965 0.87 CFD (0.62) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218758 0.87 CFD (0.62) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218271 0.87 CFD (0.54) CFDF11TPSB2KLKB1PLAU
SCHEMBL29852491 0.87 CFD (0.54) CFDF11TPSB2KLKB1PLAU

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