SCHEMBL20850722

SCHEMBL20850722

Nc1nc(N)nc(NCc2ccccc2CCCO)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR68 Q15743 4/20 0.47
HTR2B P41595 4/20 0.47
ADORA2A P29274 2/20 0.47
NPSR1 Q6W5P4 1/20 0.41
HTR1A P08908 4/20 0.40
TPH1 P17752 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ACKR3 P25106 2/20 0.38
KCNH3 Q9ULD8 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
HTR7 P34969 3/20 0.37
HTR6 P50406 3/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 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
SCHEMBL20850560 0.84 TLR8 (0.44) GPR68HTR2BADORA2ANPSR1TLR7
SCHEMBL1825352 0.77 CA2 (0.56) GPR68HTR2BADORA2ANPSR1CA1
SCHEMBL20850655 0.75 ADORA2A (0.44) GPR68HTR2BADORA2ANPSR1HTR1A
SCHEMBL14869738 0.73 HRH4 (0.53) GPR68HTR2BADORA2ANPSR1HTR1A
SCHEMBL31453478 0.73 MAPK1 (0.55) GPR68HTR2BADORA2ANPSR1HTR6
SCHEMBL1607140 0.73 TDP1 (0.43) CA2
SCHEMBL29681348 0.73 TDP1 (0.43) CA2
SCHEMBL29681353 0.73 TDP1 (0.43) CA2
SCHEMBL14869494 0.71 APP (0.43) GPR68HTR2BADORA2ANPSR1HTR1A
SCHEMBL6638595 0.70 NUDT1 (0.49) HTR1ATLR7KCNH3CA1CA2

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-2019060422-A2 NOVEL COMPOSITIONS AND METHODS TO PRODUCE ALKOXYLATED TRIAZINE-ARYLHYDROXY-ALDEHYDE CONDENSATES HEXION INC. (US) 2019-03-28 WO disclosed