SCHEMBL7014370

SCHEMBL7014370

CCCCCC1CCC(Cc2c(CC)cc3c(OCc4ccccc4)cccn23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 7/20 0.41
GRM2 Q14416 5/20 0.40
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33

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
SCHEMBL7011801 0.88 PLA2G1B (0.45) PLA2G1BGRM2ATP4AATP4BMEN1
SCHEMBL8322218 0.87 PLA2G1B (0.38) PLA2G1BATP4AATP4BMEN1KMT2A
SCHEMBL7006126 0.87 PLA2G1B (0.46) PLA2G1BGRM2ATP4AATP4BMEN1
SCHEMBL7012019 0.84 PLA2G1B (0.38) PLA2G1BGRM2ATP4AATP4BMEN1
SCHEMBL7014264 0.82 PLA2G1B (0.42) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL7011597 0.78 ATP4A (0.44) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL7013502 0.77 PLA2G1B (0.70) PLA2G1B
SCHEMBL7006186 0.75 PLA2G1B (0.48) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL7014249 0.74 ATP4A (0.40) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL7013631 0.74 ATP4A (0.42) PLA2G1BATP4AATP4BMEN1CYP1A2

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 4 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