SCHEMBL26428162

SCHEMBL26428162

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.47
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2C P28335 4/20 0.44
SLC6A4 P31645 1/20 0.43
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HTR1A P08908 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HTR7 P34969 2/20 0.43
HTR3E A5X5Y0 1/20 0.43

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
SCHEMBL26419345 0.91 MPO (0.53) MAPK1L3MBTL1ALDH1A1LMNASLC6A4
SCHEMBL26412809 0.89 MAPK1 (0.45) MAPK1L3MBTL1ALDH1A1LMNASLC6A4
SCHEMBL26419407 0.89 UTS2R (0.48) MAPK1L3MBTL1ALDH1A1LMNAHTR2C
SCHEMBL26417454 0.87 MAPK1 (0.58) MAPK1L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL26421904 0.84 MAPK1 (0.45) MAPK1L3MBTL1ALDH1A1LMNASLC6A4
SCHEMBL26427084 0.83 MAPK1 (0.45) MAPK1L3MBTL1ALDH1A1LMNASLC6A4
SCHEMBL15229781 0.82 SPR (0.50) SPRALDH1A1NPSR1LMNAKDM4E
SCHEMBL26426234 0.78 MAPK1 (0.47) MAPK1L3MBTL1ALDH1A1LMNAHTR1A
SCHEMBL26416430 0.76 HTR2A (0.47) MAPK1L3MBTL1ALDH1A1LMNASLC6A4
SCHEMBL5742971 0.74 CYP2C19 (0.65) MAPK1L3MBTL1ALDH1A1LMNAKDM4E

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