SCHEMBL7005845

SCHEMBL7005845

CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
MRGPRX4 Q96LA9 4/20 0.45
SRD5A2 P31213 1/20 0.45
MAOB P27338 2/20 0.45
VNN1 O95497 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
PLA2G1B P04054 1/20 0.44
NR4A2 P43354 1/20 0.44
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
MTNR1B P49286 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL7014844 0.90 ATM (0.48) MRGPRX4SRD5A2MAOBMAPTALDH1A1
SCHEMBL7011444 0.86 ATP4A (0.43) MRGPRX4SRD5A2KMT2AATMPLA2G1B
SCHEMBL9080274 0.84 PLA2G1B (0.45) MRGPRX4MAOBVNN1PLA2G1BNR4A2
SCHEMBL7016240 0.83 ATM (0.44) MRGPRX4ATMPLA2G1BATP4AATP4B
SCHEMBL7013035 0.82 ABCB1 (0.52) ABCB1HTR1ADRD2MAOBPLA2G1B
SCHEMBL7006665 0.81 PLA2G1B (0.43) MRGPRX4MAPTKMT2AATMPLA2G1B
SCHEMBL8321751 0.79 L3MBTL1 (0.46) MRGPRX4MAPTALDH1A1KMT2AATM
SCHEMBL7005971 0.79 MRGPRX4 (0.45) MRGPRX4MAPTALDH1A1KMT2APLA2G1B
SCHEMBL7013814 0.79 ATP4A (0.42) MRGPRX4SRD5A2MAPTALDH1A1KMT2A
SCHEMBL7006648 0.78 PLA2G1B (0.44) MAPTALDH1A1KMT2APLA2G1BATP4A

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