SCHEMBL8324082

SCHEMBL8324082

c1ccc(COc2cccn3c(Cc4ccccc4-c4ccccc4)c(C4CC4)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 12/20 0.47
PTGER1 P34995 4/20 0.43
PTGER4 P35408 4/20 0.43
PTGER3 P43115 4/20 0.43
PTGER2 P43116 4/20 0.43
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PLA2G2A P14555 4/20 0.39
PLA2G2E Q9NZK7 3/20 0.39
PLA2G5 P39877 2/20 0.39
PLA2G10 O15496 1/20 0.39
GRM2 Q14416 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
SCHEMBL7010577 0.87 HTR1A (0.46) PLA2G1BHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8022953 0.86 PLA2G1B (0.64) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7018281 0.83 PLA2G1B (0.49) PLA2G1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL7010592 0.83 PLA2G1B (0.61) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7010500 0.82 PLA2G1B (0.55) PLA2G1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL7009863 0.80 PLA2G1B (0.66) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7013923 0.79 HTR1A (0.43) PLA2G1BHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8324753 0.77 RXRA (0.42) PLA2G1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8323100 0.74 PLA2G1B (0.83) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7012834 0.73 PLA2G1B (0.84) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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