SCHEMBL7013035

SCHEMBL7013035

CCc1cc2c(OCc3ccccc3)cccn2c1Cc1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.52
HTR1A P08908 3/20 0.52
DRD2 P14416 3/20 0.52
PLA2G1B P04054 1/20 0.50
MAOB P27338 1/20 0.46
BCHE P06276 3/20 0.42
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
SLC1A5 Q15758 1/20 0.41

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
SCHEMBL7011597 0.89 ATP4A (0.44) HTR1ADRD2PLA2G1BATP4AATP4B
SCHEMBL7014295 0.86 PLA2G1B (0.49) ABCB1PLA2G1BATP4AATP4B
SCHEMBL7010964 0.84 PLA2G1B (0.47) PLA2G1BATP4AATP4B
SCHEMBL8323820 0.83 PLA2G1B (0.51) PLA2G1BMAOBATP4AATP4BSLC1A5
SCHEMBL7006186 0.83 PLA2G1B (0.48) ABCB1HTR1ADRD2PLA2G1BATP4A
SCHEMBL7005845 0.82 ABCB1 (0.47) ABCB1HTR1ADRD2PLA2G1BMAOB
SCHEMBL7010500 0.80 PLA2G1B (0.55) PLA2G1B
SCHEMBL7014264 0.78 PLA2G1B (0.42) ABCB1HTR1ADRD2PLA2G1BBCHE
SCHEMBL8321751 0.77 L3MBTL1 (0.46) PLA2G1BATP4AATP4B
SCHEMBL8012905 0.77 PLA2G1B (0.60) PLA2G1B

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 6 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
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed