SCHEMBL7146437

SCHEMBL7146437

Cc1cc2c(OCc3ccccc3)cccn2c1C(=O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
GUCY1B2 O75343 3/20 0.39
GUCY1A2 P33402 3/20 0.39
GUCY1A1 Q02108 3/20 0.39
GUCY1B1 Q02153 3/20 0.39
PLA2G1B P04054 2/20 0.38
C5AR1 P21730 1/20 0.38
RXRA P19793 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
SCHEMBL7014335 0.85 MEN1 (0.43) PTGER1SGMS2PSEN1PSEN2APH1B
SCHEMBL7012019 0.78 PLA2G1B (0.38) PTGER1PSEN1PSEN2APH1BNCSTN
SCHEMBL7013513 0.78 SGMS2 (0.43) PTGER1SGMS2PSEN1PSEN2APH1B
SCHEMBL7011107 0.78 SGMS2 (0.43) PTGER1SGMS2PSEN1PSEN2APH1B
SCHEMBL7009138 0.76 ALDH1A1 (0.42) PTGER1SGMS2PSEN1PSEN2APH1B
SCHEMBL7006126 0.74 PLA2G1B (0.46) SGMS2PSEN1PSEN2APH1BNCSTN
SCHEMBL7017573 0.73 MEN1 (0.42) PTGER1SGMS2PSEN1PSEN2APH1B
SCHEMBL7011801 0.73 PLA2G1B (0.45) SGMS2PSEN1PSEN2APH1BNCSTN
SCHEMBL7013814 0.72 ATP4A (0.42) PTGER1PSEN1PSEN2APH1BNCSTN
SCHEMBL7010603 0.71 MRGPRX4 (0.42) PTGER1SGMS2MEN1ALDH1A1KMT2A

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 2 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