SCHEMBL5734956

SCHEMBL5734956

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.64
▸ DPP8 Q6V1X1 7/20 0.64
▸ DPP9 Q86TI2 6/20 0.64
▸ SCN9A Q15858 1/20 0.46
▸ PREP P48147 5/20 0.45
▸ FAP Q12884 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ ACE P12821 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
SCHEMBL20787861 0.87 SCN9A (0.47) DPP4DPP8DPP9SCN9AACE
SCHEMBL20787862 0.87 SCN9A (0.47) DPP4DPP8DPP9SCN9AACE
SCHEMBL27503453 0.84 F2 (0.46) DPP4DPP8DPP9SCN9AACE
SCHEMBL7870420 0.84 F2 (0.46) DPP4DPP8DPP9SCN9AACE
SCHEMBL5735443 0.80 REN (0.43) DPP4DPP8DPP9SCN9AACE
SCHEMBL5735435 0.80 REN (0.43) DPP4DPP8DPP9SCN9AACE
SCHEMBL8250574 0.79 DPP4 (0.54) DPP4DPP8DPP9PREPDPP7
SCHEMBL3601946 0.78 CTSL (0.51) DPP4DPP8DPP9PREP
SCHEMBL13444797 0.78 DPP4 (0.50) DPP4DPP8DPP9PREP
SCHEMBL13463794 0.78 DPP4 (0.50) DPP4DPP8DPP9PREP

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 3 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
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
EP-0933379-A1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO., LTD. (JP) 1999-08-04 — — EP disclosed
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