SCHEMBL7013776

SCHEMBL7013776

CCc1c(C(=O)C(N)=O)c2cc(OC)ccn2c1CC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 14/20 0.57
PLA2G2A P14555 4/20 0.41
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL7013950 0.87 PLA2G1B (0.57) PLA2G1BPLA2G2A
SCHEMBL7012842 0.75 PLA2G1B (0.81) PLA2G1BPLA2G2A
SCHEMBL7010695 0.75 PLA2G1B (0.72) PLA2G1BPLA2G2A
SCHEMBL7012897 0.74 PLA2G1B (0.71) PLA2G1BPLA2G2A
SCHEMBL7006820 0.73 PLA2G1B (1.00) PLA2G1BPLA2G2A
SCHEMBL7011894 0.73 PLA2G1B (1.00) PLA2G1BPLA2G2A
SCHEMBL7010871 0.72 PLA2G1B (0.84) PLA2G1B
SCHEMBL7009236 0.72 PLA2G1B (0.84) PLA2G1B
SCHEMBL7012314 0.72 ADORA2A (0.37) PLA2G1BPLA2G2AMTNR1AMTNR1B
SCHEMBL7187172 0.71 PLA2G1B (0.72) PLA2G1BPLA2G2A

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