SCHEMBL26428633

SCHEMBL26428633

C=NC(=O)[C@@H]1CCCN1C(=O)CCc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.64
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
NPC1 O15118 1/20 0.44
NAAA Q02083 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
ACE P12821 1/20 0.40
GLA P06280 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL26426169 0.88 F2 (0.52) F2HTR1AHTR7ACE
SCHEMBL26429154 0.87 F2 (0.53) F2
SCHEMBL26429177 0.87 F2 (0.58) F2NPC1ACE
SCHEMBL26424878 0.86 F2 (0.48) F2NPC1
SCHEMBL26427682 0.83 F2 (0.48) F2NAAAACE
SCHEMBL26429166 0.83 F2 (0.48) F2HTR1AHTR7NAAA
SCHEMBL26426189 0.81 HTR1A (0.46) F2HTR1AHTR7DPP4
SCHEMBL10335959 0.81 F2 (0.63) F2HTR1AHTR7ACE
SCHEMBL26429142 0.81 F2 (0.47) F2HTR1AHTR7ACETAAR1
SCHEMBL26427084 0.77 MAPK1 (0.45) F2L3MBTL1GLA

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