SCHEMBL8551811

SCHEMBL8551811

CCC(=O)Cn1nnn(C(=O)N(c2ccc(F)cc2)C(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.33
MC1R Q01726 4/20 0.33
POLB P06746 1/20 0.33
GRIN2B Q13224 1/20 0.33
CCKAR P32238 2/20 0.33
CCKBR P32239 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
THRB P10828 1/20 0.32
OPRM1 P35372 1/20 0.31
GPR139 Q6DWJ6 2/20 0.31
XBP1 P17861 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL8550517 0.89 TRPM8 (0.33) ALDH1A1GPR139
SCHEMBL8551340 0.88 GPBAR1 (0.33) ALDH1A1GPR139
SCHEMBL8546092 0.88 MC4R (0.34) MC4RMC1RPOLBCCKARCCKBR
SCHEMBL8550089 0.88 ALDH1A1 (0.42) CCKARCCKBRALDH1A1
SCHEMBL8551886 0.82 MC4R (0.32) MC4RMC1RCCKARCCKBRALDH1A1
SCHEMBL8547220 0.81 MC4R (0.35) MC4RMC1RPOLBCCKARCCKBR
SCHEMBL8549492 0.81 POLB (0.33) POLBALDH1A1HPGDTHRBGPR139
SCHEMBL8551420 0.79 MC4R (0.33) MC4RMC1RCCKARCCKBRALDH1A1
SCHEMBL8546021 0.77 MC4R (0.33) MC4RMC1RPOLBCCKARCCKBR
SCHEMBL8551629 0.77 TRPM8 (0.34) ALDH1A1GPR139

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-0820994-A1 Tetrazolinones as herbicides and intermediates NIHON BAYER AGROCHEM K.K. (JP) 1998-01-28 EP disclosed