SCHEMBL26412809

SCHEMBL26412809

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
SLC6A4 P31645 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
F2 P00734 1/20 0.43
SNCA P37840 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
TSHR P16473 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
MC1R Q01726 1/20 0.41

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
SCHEMBL26427084 0.92 MAPK1 (0.45) MAPK1L3MBTL1SLC6A4F2ALDH1A1
SCHEMBL26419345 0.90 MPO (0.53) MAPK1L3MBTL1SLC6A4MTNR1AMTNR1B
SCHEMBL26428162 0.89 SPR (0.47) MAPK1L3MBTL1SLC6A4ALDH1A1LMNA
SCHEMBL26419407 0.89 UTS2R (0.48) MAPK1L3MBTL1SLC6A4MTNR1AMTNR1B
SCHEMBL26416430 0.87 HTR2A (0.47) MAPK1L3MBTL1MMP9MMP8MMP14
SCHEMBL26417454 0.86 MAPK1 (0.58) MAPK1L3MBTL1ALDH1A1LMNAMC5R
SCHEMBL26424964 0.85 MAPK1 (0.46) MAPK1L3MBTL1MMP9MMP8MMP14
SCHEMBL26425069 0.84 MTNR1A (0.43) MMP9MMP8MMP14SLC6A4MTNR1A
SCHEMBL26421904 0.83 MAPK1 (0.45) MAPK1L3MBTL1SLC6A4ALDH1A1LMNA
SCHEMBL26429166 0.83 F2 (0.48) MAPK1F2ALDH1A1

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