SCHEMBL7650705

SCHEMBL7650705

Cc1cccc(Cl)c1NCCCNC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CXCL8 P10145 1/20 0.36
MAPK14 Q16539 2/20 0.36
NSD2 O96028 1/20 0.36
CASP6 P55212 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1B P28222 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
PTGS2 P35354 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
CASR P41180 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL7658960 0.82 GAA (0.41) GAAMAPK14HTR1BPTGS2PDK1
SCHEMBL7656523 0.82 PTGS2 (0.37) GAACXCL8MAPK14PTGS2PDK1
SCHEMBL7655803 0.79 MAPK14 (0.40) GAAMAPK14PTGS2PDK1PDK2
SCHEMBL11429114 0.79 LCK (0.51) GAACXCL8MAPK14PDK1PDK2
SCHEMBL7656019 0.79 GAA (0.41) GAACXCL8MAPK14PTGS2PDK1
SCHEMBL7658940 0.79 GAA (0.45) GAAMAPK14PTGS2PDK1PDK2
SCHEMBL7656975 0.77 GLA (0.44) MAPK14
SCHEMBL11662825 0.76 MAPK14 (0.51) GAACXCL8MAPK14PTGS2PDK1
SCHEMBL16301207 0.76 SMN1; SMN2 (0.51) GAAMAPK14PTGS2
SCHEMBL5840516 0.75 MAPT (0.44) HTR1ASIGMAR1

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
US-6340687-B1 ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US disclosed