SCHEMBL23219189

SCHEMBL23219189

Cn1nc(COc2ccccc2CC(=O)OC(C)(C)C)c2cc(Br)c3occc3c21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
CFD P00746 8/20 0.33
CYP2C9 P11712 1/20 0.32
PTGER1 P34995 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SSTR4 P31391 1/20 0.31
TBXAS1 P24557 1/20 0.30
KCNA2 P16389 1/20 0.30
KCNA5 P22460 1/20 0.30
KCNA1 Q09470 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL29853043 1.00 MTNR1A (0.34) MTNR1AMTNR1BCFDCYP2C9PTGER1
SCHEMBL28736163 0.89 CFD (0.42) CFDPTGER1L3MBTL1
SCHEMBL29852833 0.85 CFD (0.46) MTNR1AMTNR1BCFD
SCHEMBL23219227 0.85 CFD (0.46) MTNR1AMTNR1BCFD
SCHEMBL23219064 0.79 MTNR1A (0.38) MTNR1AMTNR1BCFDL3MBTL1
SCHEMBL29592731 0.79 MTNR1A (0.38) MTNR1AMTNR1BCFDL3MBTL1
SCHEMBL23219053 0.73 CFD (0.55) CFDPTGER1
SCHEMBL29853068 0.73 CFD (0.55) CFDPTGER1
SCHEMBL23241696 0.73 L3MBTL1 (0.37) CFDCYP2C9L3MBTL1TBXAS1
SCHEMBL30009863 0.73 L3MBTL1 (0.37) CFDCYP2C9L3MBTL1TBXAS1

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