SCHEMBL28995402

SCHEMBL28995402

COC(=O)CC(c1ccccc1)c1c(C2CC2)n(-c2ccc(F)c(C)c2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
HTR3A P46098 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 3/20 0.37
PLA2G2A P14555 3/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
S1PR3 Q99500 1/20 0.34
MAOB P27338 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL30176263 0.85 HTR3A (0.42) EDNRBEDNRAHTR3AMEN1NPC1
SCHEMBL23886750 0.85 HTR3A (0.42) EDNRBEDNRAHTR3AMEN1NPC1
SCHEMBL30337916 0.85 HTR3A (0.42) EDNRBEDNRAHTR3AMEN1NPC1
SCHEMBL30176307 0.85 PLA2G2A (0.45) EDNRBEDNRAHTR3AMEN1NPC1
SCHEMBL23886720 0.85 PLA2G2A (0.45) EDNRBEDNRAHTR3AMEN1NPC1
SCHEMBL23886835 0.85 HTR3A (0.42) EDNRBEDNRAHTR3AMEN1NPC1
SCHEMBL30176346 0.85 HTR3A (0.42) EDNRBEDNRAHTR3AMEN1NPC1
SCHEMBL28995426 0.80 PLA2G2A (0.46) EDNRBEDNRAFFAR1PLA2G2ALTB4R
SCHEMBL23898696 0.77 MEN1 (0.46) EDNRBEDNRAHTR3AMEN1NPC1
SCHEMBL23898572 0.76 S1PR3 (0.40) EDNRBEDNRAHTR3AMEN1NPC1

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
CN-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed