SCHEMBL20399228

SCHEMBL20399228

CN(C1CCC2(CCN(C(=O)O)CC2)O1)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.48
▸ HTR2A P28223 3/20 0.45
▸ HTR2C P28335 3/20 0.45
▸ SIGMAR1 Q99720 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 6/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPY2R P49146 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35

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
SCHEMBL20399930 0.83 MGLL (0.51) MGLLKMT2A
SCHEMBL18423593 0.78 MGLL (0.73) MGLLHTR2AHTR2CALDH1A1MEN1
SCHEMBL18446121 0.76 MGLL (0.46) MGLL
SCHEMBL3485901 0.76 HTR2A (0.71) HTR2AHTR2CSIGMAR1ALDH1A1MEN1
SCHEMBL21378223 0.76 MGLL (0.54) MGLLHTR2AHTR2CSIGMAR1ALDH1A1
SCHEMBL20399264 0.74 MGLL (0.48) MGLL
SCHEMBL20399926 0.74 MGLL (0.46) MGLLALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28077641 0.72 TSHR (0.44) MGLLHTR2AHTR2CSIGMAR1ALDH1A1
SCHEMBL18423071 0.70 MGLL (0.58) MGLL
SCHEMBL18446124 0.69 KDM4E (0.44) MGLLHTR2AHTR2CALDH1A1KMT2A

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
WO-2018134698-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 — — WO disclosed
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