SCHEMBL30503259

SCHEMBL30503259

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
DRD2 P14416 2/20 0.43
MGLL Q99685 6/20 0.42
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPY5R Q15761 1/20 0.39
DRD4 P21917 1/20 0.39
GRM2 Q14416 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38

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
SCHEMBL29426678 1.00 HTR2C (0.46) HTR2CDRD2MGLLADRA1AKCNH2
SCHEMBL30503220 1.00 HTR2C (0.46) HTR2CDRD2MGLLADRA1AKCNH2
SCHEMBL29426841 0.85 MGLL (0.50) HTR2CDRD2MGLLADRA1AKCNH2
SCHEMBL30503263 0.85 MGLL (0.50) HTR2CDRD2MGLLADRA1AKCNH2
SCHEMBL29426750 0.85 MGLL (0.50) HTR2CDRD2MGLLADRA1AKCNH2
SCHEMBL30503287 0.82 MGLL (0.44) MGLLADRA1AKCNH2NPY5R
SCHEMBL29427017 0.82 MGLL (0.44) MGLLADRA1AKCNH2NPY5R
SCHEMBL29426725 0.82 MGLL (0.44) MGLLADRA1AKCNH2NPY5R
SCHEMBL30503233 0.82 MGLL (0.44) MGLLADRA1AKCNH2NPY5R
SCHEMBL18899130 0.80 HTR2C (0.54) HTR2CDRD2MGLLHTR2AHTR2B

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