SCHEMBL27503453

SCHEMBL27503453

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ TRHR P34981 2/20 0.45
▸ ACE P12821 1/20 0.45

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
SCHEMBL7870420 1.00 F2 (0.46) F2PRSS1DPP4DPP8DPP9
SCHEMBL20787862 0.88 SCN9A (0.47) F2PRSS1DPP4DPP8DPP9
SCHEMBL20787861 0.88 SCN9A (0.47) F2PRSS1DPP4DPP8DPP9
SCHEMBL5735443 0.86 REN (0.43) F2PRSS1DPP4DPP8DPP9
SCHEMBL5735435 0.86 REN (0.43) F2PRSS1DPP4DPP8DPP9
SCHEMBL5734956 0.84 DPP4 (0.64) DPP4DPP8DPP9SCN9AACE
SCHEMBL2536244 0.84 TRHR (0.49) F2PRSS1TRHRACE
SCHEMBL5736095 0.84 ACE (0.51) F2PRSS1SCN9AACE
SCHEMBL7357085 0.81 F2 (0.53) F2PRSS1ACE
SCHEMBL5734100 0.81 CMA1 (0.41) F2PRSS1DPP4DPP8DPP9

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
CN-1214040-C Peptide derivatives having thiazolyl-alanine residues SHIONOGI & CO (JP) 2005-08-10 — — CN disclosed
CN-1235610-A Peptide derivatives having thiazolyl-alanine residues SHIONOGI & CO (JP) 1999-11-17 — — CN disclosed
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