SCHEMBL26429166

SCHEMBL26429166

C=NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.48
ALDH1A1 P00352 2/20 0.45
P2RX7 Q99572 5/20 0.41
NAAA Q02083 1/20 0.40
ENPP2 Q13822 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
EPHX2 P34913 1/20 0.39
MC4R P32245 3/20 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
SCHEMBL26429142 0.86 F2 (0.47) F2HTR1AHTR7
SCHEMBL26429154 0.84 F2 (0.53) F2
SCHEMBL26428633 0.83 F2 (0.64) F2NAAAHTR1AHTR7
SCHEMBL26427084 0.83 MAPK1 (0.45) F2ALDH1A1MAPK1
SCHEMBL26412809 0.83 MAPK1 (0.45) F2ALDH1A1MAPK1
SCHEMBL26426169 0.82 F2 (0.52) F2ENPP2HTR1AHTR7
SCHEMBL26426189 0.82 HTR1A (0.46) F2P2RX7HTR1AHTR7
SCHEMBL26424878 0.81 F2 (0.48) F2
SCHEMBL26429177 0.76 F2 (0.58) F2
SCHEMBL26418988 0.76 PREP (0.45) F2MAPK1MC4R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed