SCHEMBL26424964

SCHEMBL26424964

C=[N+](C)C(=O)[C@@H]1CCCN1C(=O)CCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
SLC6A4 P31645 2/20 0.42
SNCA P37840 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
HTR2A P28223 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40

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
SCHEMBL26426535 0.87 MAPK1 (0.59) MAPK1L3MBTL1ALDH1A1LMNAMC5R
SCHEMBL26416430 0.85 HTR2A (0.47) MAPK1L3MBTL1MTNR1AMTNR1BGFER
SCHEMBL26412809 0.85 MAPK1 (0.45) MAPK1L3MBTL1MTNR1AMTNR1BGFER
SCHEMBL15245300 0.81 SNCA (0.47) MTNR1AMTNR1BGFERHSD17B10TSHR
SCHEMBL26427084 0.77 MAPK1 (0.45) MAPK1L3MBTL1ALDH1A1LMNASLC6A4
SCHEMBL26423169 0.75 F2 (0.42) MAPK1L3MBTL1MTNR1AMTNR1BGFER
SCHEMBL26419345 0.75 MPO (0.53) MAPK1L3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL26428162 0.74 SPR (0.47) MAPK1L3MBTL1ALDH1A1LMNATSHR
SCHEMBL26419407 0.74 UTS2R (0.48) MAPK1L3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL5742979 0.72 CYP2C19 (0.65) MAPK1L3MBTL1ALDH1A1LMNAMC5R

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-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed