SCHEMBL30503233

SCHEMBL30503233

O=CN1CC2(CC[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.44
NPY5R Q15761 11/20 0.42
KCNH2 Q12809 9/20 0.42
ADRA1A P35348 6/20 0.42
ADCYAP1R1 P41586 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SGPL1 O95470 1/20 0.36
S1PR1 P21453 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL29426725 1.00 MGLL (0.44) MGLLNPY5RKCNH2ADRA1AADCYAP1R1
SCHEMBL29427017 1.00 MGLL (0.44) MGLLNPY5RKCNH2ADRA1AADCYAP1R1
SCHEMBL30503287 1.00 MGLL (0.44) MGLLNPY5RKCNH2ADRA1AADCYAP1R1
SCHEMBL29426891 0.86 MEN1 (0.38) MGLLNPY5RKCNH2ADRA1AFFAR4
SCHEMBL30503329 0.86 MEN1 (0.38) MGLLNPY5RKCNH2ADRA1AFFAR4
SCHEMBL29426767 0.86 MEN1 (0.38) MGLLNPY5RKCNH2ADRA1AFFAR4
SCHEMBL25408234 0.83 MGLL (0.49) MGLLNPY5RKCNH2ADRA1AABHD6
SCHEMBL29426678 0.82 HTR2C (0.46) MGLLNPY5RKCNH2ADRA1A
SCHEMBL30503220 0.82 HTR2C (0.46) MGLLNPY5RKCNH2ADRA1A
SCHEMBL30503259 0.82 HTR2C (0.46) MGLLNPY5RKCNH2ADRA1A

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN claimed