SCHEMBL26425154

SCHEMBL26425154

NC(=O)[C@@H]1CCCN1C(=O)CCc1c[nH]c2c(F)cccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.60
SLC6A4 P31645 5/20 0.48
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
DPP4 P27487 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR84 Q9NQS5 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
MC1R Q01726 1/20 0.41
KMT2A Q03164 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
SCHEMBL26421741 0.83 MAPK1 (0.61) DPP4MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL26428548 0.77 DPP4 (0.52) HTR1AHTR7DPP4KMT2A
SCHEMBL26416430 0.76 HTR2A (0.47) MPOSLC6A4HTR1AHTR7MAPK1
SCHEMBL26425956 0.74 DPP4 (0.48) HTR1AHTR7DPP4KMT2A
SCHEMBL5742971 0.73 CYP2C19 (0.65) HTR1AMAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL5742979 0.73 CYP2C19 (0.65) HTR1AMAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL26417454 0.72 MAPK1 (0.58) DPP4MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL21396194 0.72 MPO (0.76) MPOSLC6A4GPR84
SCHEMBL30873950 0.72 MPO (0.76) MPOSLC6A4GPR84
Oxalic Acid SCHEMBL2535897 0.71 MPO (0.82) MPOSLC6A4HTR7GPR84

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