SCHEMBL23218512

SCHEMBL23218512

CC(O)c1cc(I)c2oc(COc3ccccc3CC(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
CFD P00746 3/20 0.33
F11 P03951 2/20 0.33
TPSB2 P20231 2/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TACR1 P25103 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL29852636 1.00 MTNR1A (0.36) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL29853229 0.85 MTNR1A (0.37) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL23218702 0.85 MTNR1A (0.37) MTNR1AMTNR1BCFDL3MBTL1ALDH1A1
SCHEMBL29853074 0.85 MTNR1A (0.37) MTNR1AMTNR1BCFDL3MBTL1ALDH1A1
SCHEMBL23219131 0.85 MTNR1A (0.37) MTNR1AMTNR1BCFDL3MBTL1LMNA
SCHEMBL23218235 0.85 MTNR1A (0.37) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL23218234 0.84 MTNR1A (0.38) MTNR1AMTNR1BL3MBTL1ALDH1A1LMNA
SCHEMBL23218513 0.84 MTNR1A (0.36) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL23218573 0.83 CFD (0.37) MTNR1AMTNR1BCFDF11TPSB2
SCHEMBL29852443 0.83 CFD (0.37) MTNR1AMTNR1BCFDF11TPSB2

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