SCHEMBL7011291

SCHEMBL7011291

c1ccc(COc2cccn3cc(C4CC4)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
DRD2 P14416 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
MAPK14 Q16539 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TRPV6 Q9H1D0 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
SCHEMBL7008271 0.78 MAPK1 (0.50) HTR1ADRD2MAPTMAPK1TDP1
SCHEMBL7009518 0.77 SUV39H2 (0.37) HTR1ADRD2MAPTMAPK1L3MBTL1
SCHEMBL7012495 0.77 MAPK1 (0.45) HTR1ADRD2MAPTMAPK1TDP1
SCHEMBL6535132 0.76 ABCB1 (0.48) HTR1ADRD2MAPTMAPK1TDP1
SCHEMBL7009318 0.75 PTGDR (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7013077 0.75 MAPT (0.52) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL7012498 0.72 HTR1A (0.44) HTR1ASLC6A2SLC6A4SLC6A3MRGPRX4
SCHEMBL8327321 0.71 PLA2G1B (0.43) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7010577 0.71 HTR1A (0.46) HTR1ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL24738056 0.71 ATP4A (0.37) HTR1ASLC6A2SLC6A4SLC6A3MRGPRX4

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
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
CN-1158121-A Indolizine sPLA2Inhibitors LILLY CO ELI (US) 1997-08-27 CN disclosed