SCHEMBL9044018

SCHEMBL9044018

CCN(Cc1ccc(Oc2ccc(Cl)cc2)nc1)C(=C[N+](=O)[O-])NC

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
P2RX3 P56373 12/20 0.37
EGLN1 Q9GZT9 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
LIPE Q05469 2/20 0.35

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
SCHEMBL9044014 1.00 GAA (0.39) GAAL3MBTL1DAGLAP2RX3EGLN1
Nitenpyram SCHEMBL29388004 0.82 SMN1; SMN2 (0.40)
Nitenpyram SCHEMBL25789 0.82 SMN1; SMN2 (0.40)
Nitenpyram SCHEMBL25788 0.82 SMN1; SMN2 (0.40)
Nitenpyram SCHEMBL31030931 0.82 SMN1; SMN2 (0.40)
Nitenpyram SCHEMBL13448342 0.82 SMN1; SMN2 (0.40)
Nitenpyram SCHEMBL28400760 0.81 SMN1; SMN2 (0.39)
SCHEMBL27315098 0.79 LIPE (0.45) LIPE
SCHEMBL9046781 0.79 LIPE (0.45) LIPE
SCHEMBL236739 0.78 MMP2 (0.34)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366085-B1 Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-17 EP disclosed
CN-1031265-C Tetrahydropyrimidine-containing pest control compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-03-13 CN disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed
CN-1042149-A Tetrahydropyrimidines, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-05-16 CN disclosed