SCHEMBL7012498

SCHEMBL7012498

O=C(O)c1c(C2CC2)cn2cccc(OCc3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PLA2G1B P04054 1/20 0.43
FOLH1 Q04609 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
SGMS2 Q8NHU3 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
RXRA P19793 4/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 2/20 0.39
SRD5A2 P31213 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MCL1 Q07820 1/20 0.38
PTGER1 P34995 1/20 0.37

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
SCHEMBL9080973 0.87 KMT2A (0.41) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8327321 0.82 PLA2G1B (0.43) HTR1ASLC6A2SLC6A4SLC6A3PLA2G1B
SCHEMBL3952696 0.81 RXRA (0.49) PLA2G1BFOLH1MRGPRX4RXRARXRB
SCHEMBL7011352 0.80 FOLH1 (0.47) PLA2G1BFOLH1ALDH1A1MRGPRX4RXRA
SCHEMBL27477173 0.80 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3PLA2G1B
SCHEMBL9080978 0.76 PLA2G1B (0.57) PLA2G1B
SCHEMBL13794527 0.73 MAPT (0.45) ALDH1A1SGMS2RXRARXRBRXRG
SCHEMBL7011291 0.72 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8345231 0.71 KDM4E (0.45) PLA2G1BMEN1KMT2AALDH1A1HPGD
SCHEMBL8318865 0.71 PLA2G1B (0.48) PLA2G1BMEN1KMT2AALDH1A1SGMS2

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
CN-1158121-A Indolizine sPLA2Inhibitors LILLY CO ELI (US) 1997-08-27 CN disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed