SCHEMBL30787544

SCHEMBL30787544

N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MME P08473 5/20 0.51
▸ ACE P12821 5/20 0.48
▸ MMP2 P08253 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ CPA1 P15085 3/20 0.47
▸ ACE2 Q9BYF1 3/20 0.47
▸ ECE1 P42892 1/20 0.46

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
SCHEMBL31142119 0.90 SLC1A3 (0.42) NPSR1MME
SCHEMBL30101855 0.90 SLC1A3 (0.42) NPSR1MME
SCHEMBL29666917 0.89 GPR132 (0.45) NPSR1MMEMMP9MMP12ECE1
SCHEMBL31096183 0.88 MME (0.43) NPSR1MME
SCHEMBL30811214 0.86 MME (0.41) MMEACE
SCHEMBL29657329 0.86 MMP2 (0.42) NPSR1MMEACEMMP2MMP7
SCHEMBL8761646 0.82 MME (0.61) NPSR1MMEACECPA1ACE2
SCHEMBL11548564 0.82 MME (0.61) NPSR1MMEACECPA1ACE2
SCHEMBL135366 0.82 MME (0.61) NPSR1MMEACECPA1ACE2
SCHEMBL30494635 0.82 MME (0.61) NPSR1MMEACECPA1ACE2

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
WO-2024012157-A1 POLYPEPTIDE COMPOUND, AND COMPLEX AND USE THEREOF 杭州禾泰健宇生物科技有限公司 2024-01-18 — — WO disclosed
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