SCHEMBL30503263

SCHEMBL30503263

O=CN1CC2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.50
HTR2C P28335 2/20 0.41
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1B P35368 1/20 0.39
P2RY14 Q15391 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
TACR1 P25103 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPY5R Q15761 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL29426750 1.00 MGLL (0.50) MGLLHTR2CADRA2ADRD1DRD5
SCHEMBL29426841 1.00 MGLL (0.50) MGLLHTR2CADRA2ADRD1DRD5
SCHEMBL31308061 0.89 HTR2C (0.41) MGLLHTR2CADRA2ADRD1DRD5
SCHEMBL29426678 0.85 HTR2C (0.46) MGLLHTR2CADRA1AKCNH2NPY5R
SCHEMBL30503259 0.85 HTR2C (0.46) MGLLHTR2CADRA1AKCNH2NPY5R
SCHEMBL30503220 0.85 HTR2C (0.46) MGLLHTR2CADRA1AKCNH2NPY5R
SCHEMBL29426891 0.83 MEN1 (0.38) MGLLADRA1AKCNH2NPY5R
SCHEMBL29426767 0.83 MEN1 (0.38) MGLLADRA1AKCNH2NPY5R
SCHEMBL30503329 0.83 MEN1 (0.38) MGLLADRA1AKCNH2NPY5R
SCHEMBL23859669 0.80 MGLL (0.60) MGLLHTR2CP2RY14

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 2 patents. 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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed