SCHEMBL5734100

SCHEMBL5734100

CCCCCCCCCCCCCCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cscn1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 10/20 0.41
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ ACE P12821 3/20 0.39
▸ ACE2 Q9BYF1 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ CTRC Q99895 1/20 0.37
▸ HRH2 P25021 2/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36

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
SCHEMBL27488114 1.00 CMA1 (0.41) CMA1F2PRSS1F10ACE
Hydrochloric Acid SCHEMBL5734716 0.86 DPP4 (0.50) F2F10ACEACE2DPP4
SCHEMBL5734046 0.85 TRHR (0.47) —
SCHEMBL7870420 0.81 F2 (0.46) F2PRSS1ACESCN9ADPP4
SCHEMBL27503453 0.81 F2 (0.46) F2PRSS1ACESCN9ADPP4
SCHEMBL20787862 0.78 SCN9A (0.47) CMA1F2PRSS1ACESCN9A
SCHEMBL20787861 0.78 SCN9A (0.47) CMA1F2PRSS1ACESCN9A
SCHEMBL5735443 0.77 REN (0.43) F2PRSS1ACESCN9ADPP4
SCHEMBL5735435 0.77 REN (0.43) F2PRSS1ACESCN9ADPP4
SCHEMBL5736095 0.76 ACE (0.51) CMA1F2PRSS1ACESCN9A

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 5 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
CN-1214040-C Peptide derivatives having thiazolyl-alanine residues SHIONOGI & CO (JP) 2005-08-10 — — CN disclosed
US-6319902-B1 TO ACTIVATE THE CENTRAL NERVOUS SYSTEM, SUCH AS, FOR EXAMPLE, SUSTAINED ACETYLCHOLINE RELEASING ACTION, ANTI-RESERPINE ACTION AND LOCOMOTOR INCREMENT SHIONOGI & CO., LTD. (JP) 2001-11-20 — — US disclosed
CN-1235610-A Peptide derivatives having thiazolyl-alanine residues SHIONOGI & CO (JP) 1999-11-17 — — CN disclosed
EP-0933379-A1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO., LTD. (JP) 1999-08-04 — — EP disclosed
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