SCHEMBL23192497

SCHEMBL23192497

CN[C@H](CCCCNC(=O)Cc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.51
▸ NAALAD2 Q9Y3Q0 3/20 0.45
▸ FTO Q9C0B1 9/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMAD3 P84022 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NR1H2 P55055 1/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ GSTP1 P09211 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ CXCR4 P61073 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
SCHEMBL23192580 1.00 ALB (0.51) ALBNAALAD2FTOMEN1MAPT
SCHEMBL19719052 0.84 FTO (0.52) ALBNAALAD2FTOMEN1MAPT
SCHEMBL19835754 0.81 L3MBTL1 (0.48) ALBFTOMEN1MAPTHPGD
SCHEMBL21091701 0.79 FTO (0.45) ALBNAALAD2FTOMEN1MAPT
SCHEMBL24736659 0.78 FTO (0.62) ALBFTOMEN1MAPTHPGD
SCHEMBL25613623 0.76 ALB (0.54) ALBNAALAD2FTOMEN1MAPT
SCHEMBL19372812 0.76 GSTP1 (0.39) ALBFTOMEN1MAPTHPGD
SCHEMBL23192496 0.76 FTO (0.62) ALBFTOMEN1MAPTHPGD
SCHEMBL24403836 0.75 FTO (0.58) ALBFTOMEN1MAPTHPGD
SCHEMBL1539101 0.74 FTO (0.63) ALBFTOMEN1MAPTHPGD

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
WO-2021064165-A1 PEPTIDE COMPOUNDS FOR REDUCING SIDE EFFECTS OF CB1 RECEPTOR AGONISTS UNIVERSITAT DE BARCELONA (ES) 2021-04-08 — — WO disclosed
EP-3800195-A1 PEPTIDE COMPOUNDS FOR REDUCING SIDE EFFECTS OF CB1 RECEPTOR AGONISTS Universitat de Barcelona (ES) 2021-04-07 — — EP disclosed
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