SCHEMBL23219043

SCHEMBL23219043

COc1ccc(CC(=O)O)c(OCc2nn(C(C)C)c3ccc(-c4cccc(CN)c4)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 9/20 0.48
TPSB2 P20231 6/20 0.48
F11 P03951 5/20 0.48
PLAU P00749 3/20 0.48
PLG P00747 2/20 0.48
KLKB1 P03952 1/20 0.48
F7 P08709 1/20 0.48
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
FFAR1 O14842 4/20 0.39
PPARD Q03181 3/20 0.37
CMKLR1 Q99788 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL29591364 1.00 CFD (0.48) CFDTPSB2F11PLAUPLG
SCHEMBL23218981 0.91 CFD (0.51) CFDTPSB2F11PLAUPLG
SCHEMBL29852826 0.91 CFD (0.51) CFDTPSB2F11PLAUPLG
SCHEMBL29591051 0.90 CFD (0.49) CFDTPSB2F11PLAUPLG
SCHEMBL23219244 0.90 CFD (0.49) CFDTPSB2F11PLAUPLG
SCHEMBL23218852 0.90 CFD (0.50) CFDTPSB2F11PLAUPLG
SCHEMBL29591491 0.90 CFD (0.50) CFDTPSB2F11PLAUPLG
SCHEMBL23219211 0.89 CFD (0.62) CFDTPSB2F11PLAUPLG
SCHEMBL29593174 0.89 CFD (0.62) CFDTPSB2F11PLAUPLG
SCHEMBL29339628 0.88 P2RX3 (0.43) CFDTPSB2F11CMKLR1

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