SCHEMBL7006186

SCHEMBL7006186

CCc1cc2c(OCc3ccccc3)cccn2c1Cc1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 9/20 0.48
ATP4A P20648 3/20 0.42
ATP4B P51164 3/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.40
DRD2 P14416 3/20 0.40
HTR1A P08908 2/20 0.40
MAPK14 Q16539 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7011597 0.94 ATP4A (0.44) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7010500 0.89 PLA2G1B (0.55) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL7010964 0.88 PLA2G1B (0.47) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7014295 0.84 PLA2G1B (0.49) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7013035 0.83 ABCB1 (0.52) PLA2G1BATP4AATP4BDRD2HTR1A
SCHEMBL7006648 0.83 PLA2G1B (0.44) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL7014264 0.82 PLA2G1B (0.42) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL8323820 0.82 PLA2G1B (0.51) PLA2G1BATP4AATP4BDRD3
SCHEMBL8321751 0.81 L3MBTL1 (0.46) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL8012905 0.81 PLA2G1B (0.60) PLA2G1BPLA2G2APLA2G5PLA2G2E

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