SCHEMBL7012019

SCHEMBL7012019

CCCCCC1CCC(CC(=O)c2c(CC)cc3c(OCc4ccccc4)cccn23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.36
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL7014370 0.84 PLA2G1B (0.41) PLA2G1BTRPM8MEN1KMT2AATP4A
SCHEMBL8322218 0.83 PLA2G1B (0.38) PLA2G1BTRPM8NPC1MEN1KMT2A
SCHEMBL7013814 0.79 ATP4A (0.42) PLA2G1BNPC1MEN1KMT2AATP4A
SCHEMBL7146437 0.78 PTGER1 (0.42) PLA2G1BNPC1MEN1KMT2AATP4A
SCHEMBL7009138 0.77 ALDH1A1 (0.42) PLA2G1BTRPM8NPC1MEN1KMT2A
SCHEMBL7011107 0.76 SGMS2 (0.43) PLA2G1BNPC1MEN1KMT2AATP4A
SCHEMBL7013513 0.76 SGMS2 (0.43) PLA2G1BNPC1MEN1KMT2AATP4A
SCHEMBL7014844 0.75 ATM (0.48) PLA2G1BNPC1MEN1KMT2AATP4A
SCHEMBL7014264 0.74 PLA2G1B (0.42) PLA2G1BMEN1KMT2AATP4AATP4B
SCHEMBL7006657 0.74 PLA2G1B (0.39) PLA2G1BNPC1ATP4AATP4BALDH1A1

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