SCHEMBL23512628

SCHEMBL23512628

Cc1c(CC(=O)O)cccc1-c1ccc(C[C@@H]2NC(=O)[C@]3(Cc4ccccc4)CCCN(C/C=C/C(=O)NCC[C@@H](C(=O)NCCOCCN)NC(=O)Cc4ccccc4CNC2=O)C3)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPIE Q9UNP9 1/20 0.71
▸ ANPEP P15144 2/20 0.31
▸ LNPEP Q9UIQ6 2/20 0.31
▸ SLC40A1 Q9NP59 1/20 0.30

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
SCHEMBL23512383 0.92 PPIE (0.84) PPIEANPEPLNPEPSLC40A1
SCHEMBL25146777 0.86 PPIE (0.87) PPIESLC40A1
SCHEMBL23512446 0.86 PPIE (0.86) PPIESLC40A1
SCHEMBL23512450 0.85 PPIE (0.90) PPIESLC40A1
SCHEMBL23512455 0.85 PPIE (0.86) PPIESLC40A1
SCHEMBL25146434 0.84 PPIE (0.94) PPIEANPEPLNPEPSLC40A1
SCHEMBL23512908 0.84 PPIE (0.90) PPIESLC40A1
SCHEMBL25146703 0.83 PPIE (0.96) PPIEANPEPLNPEPSLC40A1
SCHEMBL23512388 0.83 PPIE (1.00) PPIEANPEPLNPEPSLC40A1
SCHEMBL23512386 0.83 PPIE (0.91) PPIEANPEPLNPEPSLC40A1

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-2021119249-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-06-17 — — WO disclosed
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