SCHEMBL10440329

SCHEMBL10440329

CC(NCc1ccc(Oc2ccc(Cl)cc2)nc1)=C(N)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.41
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
P2RX3 P56373 7/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
ROCK1 Q13464 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ATG4B Q9Y4P1 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
SCHEMBL7664015 0.81 ALDH1A1 (0.43) GAAL3MBTL1CYP2C9CYP2C19
SCHEMBL9046783 0.78 OPRM1 (0.40) EGLN1OPRM1OPRD1P2RX3GAA
SCHEMBL9044324 0.77 MAPT (0.48) EGLN1P2RX3GAAL3MBTL1ATG4B
SCHEMBL10440330 0.76 OPRM1 (0.44) EGLN1OPRM1OPRD1OPRK1P2RX3
SCHEMBL12173763 0.73 OPRM1 (0.46) EGLN1OPRM1OPRD1OPRK1P2RX3
SCHEMBL9045495 0.71 OPRM1 (0.45) OPRM1OPRD1OPRK1P2RX3GRIN2D
SCHEMBL8019976 0.69 P2RX3 (0.48) EGLN1OPRM1OPRD1OPRK1P2RX3
SCHEMBL9045204 0.69 MAOB (0.53) EGLN1P2RX3L3MBTL1DAGLA
SCHEMBL14349927 0.69 P2RX3 (0.48) P2RX3L3MBTL1HRH3
SCHEMBL7662633 0.69 MEN1 (0.43) GAACYP2C9CYP2C19

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
EP-0366085-A2 Tetrahydropyrimidines, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-02 EP disclosed