SCHEMBL20198164

SCHEMBL20198164

N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C(=O)CCCc3ccccc3)C(F)(F)F)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ F13A1 P00488 3/20 0.43
▸ TGM2 P21980 3/20 0.43
▸ TGM1 P22735 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 3/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL18634193 0.95 F13A1 (0.46) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL22365059 0.84 MAOA (0.44) F13A1TGM2TGM1SMN1; SMN2GAA
SCHEMBL20411236 0.80 PKM (0.47) SMN1; SMN2GAAPKMCNR1L3MBTL1
SCHEMBL15100844 0.78 MGLL (0.52) SMN1; SMN2GAAPKMCNR1L3MBTL1
SCHEMBL16744476 0.74 KMT2A (0.53) SMN1; SMN2ALDH1A1GAAPKMMEN1
SCHEMBL20198138 0.74 POLB (0.34) F13A1TGM2TGM1SMN1; SMN2ALDH1A1
SCHEMBL18634273 0.73 MGLL (0.53) SMN1; SMN2ALDH1A1GAAPKMLMNA
SCHEMBL15100865 0.70 MGLL (0.66) ALDH1A1GAAPKMKMT2AUSP2
SCHEMBL15232086 0.69 TGM2 (0.62) F13A1TGM2TGM1SMN1; SMN2GAA
SCHEMBL20408695 0.69 GAA (0.56) SMN1; SMN2ALDH1A1GAAPKMLMNA

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
EP-3698782-A1 CARBAMATE COMPOUNDS FOR USE IN THERAPY Lundbeck La Jolla Research Center, Inc. (US) 2020-08-26 — — EP disclosed
EP-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 — — EP disclosed
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