SCHEMBL4670580

SCHEMBL4670580

CC1Cc2ccccc2C1N=C=S

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
PRCP P42785 1/20 0.34
KDM1A O60341 4/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL2404150 0.79 OPRM1 (0.40) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11491487 0.76 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6102182 0.75 GABRA1 (0.40)
SCHEMBL6102179 0.75 GABRA1 (0.40)
SCHEMBL6102173 0.75 GABRA1 (0.40)
SCHEMBL6103283 0.72 EGFR (0.35)
SCHEMBL5708801 0.72 EGFR (0.35)
SCHEMBL28026032 0.71 OPRM1 (0.46) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL410055 0.70 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31124279 0.70 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008125230-A2 INSECTICIDAL DERIVATIVES OF SUBSTITUTED AMINOHETEROCYCLES BAYER CROPSCIENCE AG (DE) 2008-10-23 WO disclosed
WO-2008125230-A2 INSECTICIDAL DERIVATIVES OF SUBSTITUTED AMINOHETEROCYCLES BAYER CROPSCIENCE AG (DE) 2008-10-23 WO disclosed
EP-1982595-A1 Insecticidal derivatives of substituted aminoheterocycles Bayer CropScience AG (DE) 2008-10-22 EP disclosed