SCHEMBL7010577

SCHEMBL7010577

c1ccc(COc2cccn3c(Cc4ccccc4)c(C4CC4)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.46
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A3 Q01959 5/20 0.46
PLA2G1B P04054 1/20 0.42
ATP4A P20648 3/20 0.40
ATP4B P51164 3/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 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
SCHEMBL8324082 0.87 PLA2G1B (0.47) HTR1ASLC6A2SLC6A4SLC6A3PLA2G1B
SCHEMBL7013923 0.86 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3PLA2G1B
SCHEMBL7014331 0.80 ATP4A (0.49) HTR1APLA2G1BATP4AATP4BMAPK1
SCHEMBL7010603 0.78 MRGPRX4 (0.42) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7011597 0.78 ATP4A (0.44) HTR1APLA2G1BATP4AATP4BMAPK1
SCHEMBL7017573 0.77 MEN1 (0.42) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8324753 0.74 RXRA (0.42) HTR1ASLC6A2SLC6A4SLC6A3PLA2G1B
SCHEMBL7010964 0.73 PLA2G1B (0.47) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7006186 0.72 PLA2G1B (0.48) HTR1APLA2G1BATP4AATP4BMAPK1
SCHEMBL12836290 0.72 HTR1A (0.79) HTR1ASLC6A2SLC6A4SLC6A3MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed