SCHEMBL5735443

SCHEMBL5735443

CC(C)(C)OC(=O)N[C@@H](Cc1cscn1)C(=O)N1CCC[C@@H]1C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ ACE P12821 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 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
SCHEMBL5735435 1.00 REN (0.43) RENSCN9AACEDPP4DPP8
SCHEMBL7870420 0.86 F2 (0.46) SCN9AACEDPP4DPP8DPP9
SCHEMBL27503453 0.86 F2 (0.46) SCN9AACEDPP4DPP8DPP9
SCHEMBL20787861 0.83 SCN9A (0.47) SCN9AACEDPP4DPP8DPP9
SCHEMBL20787862 0.83 SCN9A (0.47) SCN9AACEDPP4DPP8DPP9
SCHEMBL5734956 0.80 DPP4 (0.64) SCN9AACEDPP4DPP8DPP9
SCHEMBL5736095 0.80 ACE (0.51) SCN9AACEF2PRSS1
Hydrochloric Acid SCHEMBL5735089 0.80 DPP4 (0.60) RENDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5735095 0.80 DPP4 (0.60) RENDPP4DPP8DPP9
SCHEMBL5734100 0.77 CMA1 (0.41) SCN9AACEDPP4DPP8DPP9

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
EP-0933379-B1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO (JP) 2006-03-22 — — EP disclosed
EP-0933379-A1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO., LTD. (JP) 1999-08-04 — — EP disclosed
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