SCHEMBL4776697

SCHEMBL4776697

CCCCOC(CC)COCC(C)Oc1nc(CCCc2ccccc2)cc(-c2ccc(N)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PLA2G2A P14555 3/20 0.36
PLA2G10 O15496 2/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
LTB4R Q15722 1/20 0.33
DHODH Q02127 1/20 0.32
CXCR2 P25025 1/20 0.31
GSK3B P49841 1/20 0.31
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4776706 0.88 PLA2G2A (0.42) HRH2HRH3PLA2G2APLA2G10PLA2G1B
SCHEMBL4779671 0.88 EIF4A1 (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5LTB4R
SCHEMBL4776700 0.85 HRH2 (0.42) HRH2HRH3PLA2G2APLA2G10PLA2G1B
SCHEMBL4774672 0.76 NOS3 (0.43) HRH2HRH3NOS3NOS1NOS2
SCHEMBL4779682 0.76 PLA2G2A (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5LTB4R
SCHEMBL4774626 0.74 NOS3 (0.43) HRH2HRH3NOS3NOS1NOS2
SCHEMBL4779677 0.73 EIF4A1 (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5L3MBTL1
SCHEMBL4793947 0.68 ADRA2A (0.40)
SCHEMBL4778112 0.68 NOS3 (0.47) NOS3NOS1NOS2LTB4RDHODH
SCHEMBL18511748 0.67 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