SCHEMBL2475014

SCHEMBL2475014

O=C(CNC(Cc1ccccc1)C(=O)O)N[C@@H](Cc1c[nH]cn1)C(=O)O.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.43
▸ MME P08473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ECE1 P42892 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.41
▸ AGTR2 P50052 1/20 0.41
▸ FAAH O00519 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
SCHEMBL9829792 0.84 ITGB3 (0.49) ACE
SCHEMBL10769022 0.84 ITGB3 (0.49) ACEMMENPSR1ECE1LMNA
SCHEMBL9829783 0.84 ITGB3 (0.49) ACE
SCHEMBL9829868 0.84 SLC6A9 (0.45) ACELMNA
SCHEMBL9829848 0.84 SLC6A9 (0.45) ACELMNA
SCHEMBL8255755 0.83 MME (0.50) MMENPSR1NAALAD2
SCHEMBL5870135 0.83 MME (0.50) MMENPSR1NAALAD2
SCHEMBL29448215 0.83 MME (0.43) MMENPSR1NAALAD2
SCHEMBL30659881 0.83 OPRD1 (0.48) —
SCHEMBL9665688 0.82 ERCC1 (0.39) ACELMNA

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-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 — — EP disclosed
Send feedback