SCHEMBL6689087

SCHEMBL6689087

CCOC(=O)C1CCCc2c1c1c(OC)ccc(F)c1n2Cc1ccccc1.COc1ccc(F)c2c1c1c(n2Cc2ccccc2)CCCC1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.41
PLA2G2A P14555 5/20 0.39
KDM4E B2RXH2 1/20 0.36
HTR6 P50406 1/20 0.36
FABP4 P15090 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6691162 0.96 TSPO (0.44) TSPOPLA2G2AFABP4L3MBTL1
SCHEMBL6691723 0.93 TSPO (0.44) TSPOPLA2G2AHTR6FABP4
SCHEMBL6689210 0.87 TSPO (0.43) TSPOPLA2G2AFABP4L3MBTL1
SCHEMBL6688729 0.86 TSPO (0.43) TSPOPLA2G2AKDM4EHTR6FABP4
SCHEMBL6691740 0.86 PLA2G2A (0.44) TSPOPLA2G2AHTR6
SCHEMBL6697582 0.85 PLA2G2A (0.44) TSPOPLA2G2AHTR6FABP4
SCHEMBL27844993 0.85 FABP4 (0.37) TSPOHTR6FABP4
SCHEMBL818609 0.84 PLA2G2A (0.47) PLA2G2A
SCHEMBL29862385 0.84 PLA2G2A (0.47) PLA2G2A
SCHEMBL27594802 0.84 FABP4 (0.36) TSPOPLA2G2AFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950657-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors LILLY CO ELI (US) 2004-07-14 EP disclosed