SCHEMBL7010603

SCHEMBL7010603

O=C(c1ccccc1)c1c(C2CC2)cc2c(OCc3ccccc3)cccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGER1 P34995 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SRD5A2 P31213 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL8324753 0.86 RXRA (0.42) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7017573 0.85 MEN1 (0.42) MRGPRX4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7014844 0.82 ATM (0.48) MRGPRX4ATMMEN1KMT2APTGER1
SCHEMBL7010577 0.78 HTR1A (0.46) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7016240 0.76 ATM (0.44) MRGPRX4ATMPTGER1NPC1HPGD
SCHEMBL7013923 0.75 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7014335 0.74 MEN1 (0.43) MEN1KMT2APTGER1ALDH1A1NPC1
SCHEMBL7009138 0.73 ALDH1A1 (0.42) MEN1KMT2APTGER1ALDH1A1NPC1
SCHEMBL7005845 0.73 ABCB1 (0.47) MRGPRX4HTR1AATMKMT2AALDH1A1
SCHEMBL7011444 0.72 ATP4A (0.43) MRGPRX4ATMMEN1KMT2ASRD5A2

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