SCHEMBL2594431

SCHEMBL2594431

COc1cc(OCC(=O)NO)c2c3c(n(Cc4ccccc4)c2c1)CCCC3C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
PLA2G2A P14555 10/20 0.38
HDAC8 Q9BY41 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2E Q9NZK7 1/20 0.38
TSPO P30536 2/20 0.37

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
SCHEMBL818425 0.92 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL29862534 0.92 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL27862241 0.92 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6129641 0.91 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6129643 0.91 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6699097 0.89 HTR6 (0.45) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL818490 0.89 HTR6 (0.51) HTR6PLA2G2APLA2G10TSPO
SCHEMBL29863082 0.89 HTR6 (0.51) HTR6PLA2G2APLA2G10TSPO
SCHEMBL6691695 0.88 HTR6 (0.44) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6693682 0.88 HTR6 (0.49) HTR6PLA2G2APLA2G10TSPO

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
WO-2011137390-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. (US) 2011-11-03 WO disclosed
EP-2154958-A1 TREATMENT OF CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS AND SPLA2 INHIBITOR COMBINATION THERAPIES Anthera Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008137803-A1 TREATMENT OF CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS AND SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed