SCHEMBL22563902

SCHEMBL22563902

Cc1ccc(-n2ccc(OCc3c(C4CC4)cccc3N(C)N)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL19909876 0.91 SIGMAR1 (0.40) SIGMAR1NR1H4
SCHEMBL22563757 0.90 KDM4E (0.33) SIGMAR1
SCHEMBL22564045 0.85 SIGMAR1 (0.33) SIGMAR1RXRAGRIN1GRIN2BNR1H4
SCHEMBL22563957 0.83 MAPT (0.40) SIGMAR1NR1H4
SCHEMBL22563952 0.80 MGLL (0.33) SIGMAR1NR1H4
SCHEMBL22563890 0.77 GPBAR1 (0.33) SIGMAR1NR1H4
SCHEMBL22563981 0.77 SIGMAR1 (0.41) SIGMAR1NR1H4
SCHEMBL19904119 0.76 ALDH1A1 (0.39) SIGMAR1NR1H4
SCHEMBL15359516 0.76 HTT (0.33) SIGMAR1RXRAGRIN1GRIN2BNR1H4
SCHEMBL22564133 0.76 SIGMAR1 (0.32) SIGMAR1NR1H4

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed