SCHEMBL8551420

SCHEMBL8551420

CCC(=O)C(C)n1nnn(C(=O)N(c2ccc(F)cc2)C(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.33
MC1R Q01726 3/20 0.33
CCKAR P32238 2/20 0.33
CCKBR P32239 2/20 0.33
GRIA2 P42262 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL8546021 0.89 MC4R (0.33) MC4RMC1RCCKARCCKBR
SCHEMBL8551697 0.88 ALDH1A1 (0.42) CCKARCCKBRKMT2AALDH1A1APAF1
SCHEMBL8552004 0.87 S100A4 (0.33) MC4RMC1RCCKARCCKBRKMT2A
SCHEMBL8550997 0.83 MC4R (0.33) MC4RMC1RCCKARCCKBRGRIA2
SCHEMBL8551811 0.79 MC4R (0.33) MC4RMC1RCCKARCCKBRGRIA2
SCHEMBL8551886 0.78 MC4R (0.32) MC4RMC1RCCKARCCKBRKMT2A
SCHEMBL8550553 0.77 ALDH1A1 (0.40) CCKARCCKBRKMT2AALDH1A1APAF1
SCHEMBL8546092 0.76 MC4R (0.34) MC4RMC1RCCKARCCKBRKMT2A
SCHEMBL8550707 0.74 ALDH1A1 (0.41) KMT2AALDH1A1SMN1; SMN2
SCHEMBL8547220 0.74 MC4R (0.35) MC4RMC1RCCKARCCKBRKMT2A

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