SCHEMBL26427643

SCHEMBL26427643

NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.48
MME P08473 2/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CTNNB1 P35222 1/20 0.47
FOLH1 Q04609 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP9 P14780 2/20 0.46
PARP1 P09874 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CAPN1 P07384 1/20 0.46
CTSB P07858 1/20 0.46
TACR1 P25103 1/20 0.45
GRB2 P62993 2/20 0.44
MTNR1A P48039 1/20 0.44
PIN1 Q13526 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
SCHEMBL3654406 0.85 MME (0.51) HRH4MMEACECPA1ACE2
SCHEMBL22198528 0.82 MMP9 (0.49) HRH4MMEACECPA1ACE2
SCHEMBL26426129 0.82 MME (0.46) MMEACEFOLH1MMP8
SCHEMBL26425125 0.81 PARP1 (0.48) MMEACEPARP1PARP3MMP8
SCHEMBL8668240 0.80 MME (0.62) HRH4MMEACECPA1ACE2
SCHEMBL3660841 0.80 MME (0.62) HRH4MMEACECPA1ACE2
SCHEMBL30887357 0.80 HRH4 (0.52) HRH4MMEACECPA1ACE2
SCHEMBL26425140 0.80 CTSG (0.52) MMEACEMMP9MMP8
SCHEMBL26425109 0.79 MME (0.56) MMEACEPARP1PARP3CAPN1
SCHEMBL26428314 0.79 ECE1 (0.61) ACE

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