SCHEMBL4776706

SCHEMBL4776706

CCCCOC(CC)COCCCOc1nc(CCCc2ccccc2)cc(-c2ccc(N)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.42
PLA2G10 O15496 2/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G5 P39877 1/20 0.42
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TLR7 Q9NYK1 10/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
LTB4R Q15722 1/20 0.34
DHODH Q02127 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL4776697 0.88 HRH2 (0.37) PLA2G2APLA2G10PLA2G1BPLA2G5HRH2
SCHEMBL4779682 0.87 PLA2G2A (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5PTGS1
SCHEMBL4776700 0.87 HRH2 (0.42) PLA2G2APLA2G10PLA2G1BPLA2G5HRH2
SCHEMBL4774672 0.84 NOS3 (0.43) HRH2HRH3L3MBTL1NOS3NOS1
SCHEMBL4774626 0.81 NOS3 (0.43) HRH2HRH3L3MBTL1NOS3NOS1
SCHEMBL4779671 0.76 EIF4A1 (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5LTB4R
SCHEMBL4779677 0.74 EIF4A1 (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5L3MBTL1
SCHEMBL4776778 0.74 NFE2L2 (0.44) NOS3NOS1NOS2PTGS1PTGS2
SCHEMBL18512633 0.72 PLA2G2A (0.54) PLA2G2APLA2G10PLA2G1BPLA2G5L3MBTL1
SCHEMBL18512617 0.72 PLA2G2A (0.54) PLA2G2APLA2G10PLA2G1BPLA2G5L3MBTL1

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
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed