SCHEMBL4069676

SCHEMBL4069676

Cc1cc(-n2cc3c(n2)CCN(C(=O)O)C3)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.52
KCNH2 Q12809 4/20 0.52
PDK2 Q15119 3/20 0.45
F10 P00742 1/20 0.41
ELOVL1 Q9BW60 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CHRM4 P08173 1/20 0.35
OGA O60502 1/20 0.35
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL4067477 0.86 PDK2 (0.47) SLC6A9KCNH2PDK2
SCHEMBL4063883 0.85 MAPT (0.48) SLC6A9KCNH2PDK2F10
SCHEMBL13749198 0.83 SLC6A9 (0.45) SLC6A9KCNH2PDK2F10
Hydrochloric Acid SCHEMBL4067798 0.82 SLC6A9 (0.44) SLC6A9KCNH2PDK2F10
SCHEMBL14861471 0.80 PDK2 (0.52) SLC6A9PDK2OGA
SCHEMBL13748459 0.78 SLC6A9 (0.44) SLC6A9KCNH2PDK2F10CHRM4
SCHEMBL13749100 0.78 SLC6A9 (0.42) SLC6A9KCNH2PDK2CHRM4
SCHEMBL13748331 0.77 ALDH1A1 (0.47) SLC6A9KCNH2
SCHEMBL4070973 0.77 SLC6A9 (0.44) SLC6A9KCNH2PDK2RXRAGRIN1
SCHEMBL18131939 0.76 PDK2 (0.44) SLC6A9PDK2OGA

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-2009100120-A2 PYRIDINYL-SUBSTITUTED PIPERAZINYL OXOETHYL TETRAHYDROPYRAZOLOPYRIDINES NEUROGEN CORPORATION (US) 2009-08-13 WO disclosed