SCHEMBL7872451

SCHEMBL7872451

C[C@@H]1OC(=O)N[C@@H]1C(=O)[C@@]1(C)CCCN1C(=O)[C@H](N)Cc1cscn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.42
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL5736174 1.00 DPP4 (0.42) DPP4DPP8DPP9OPRD1
SCHEMBL5735632 0.89 DPP4 (0.42) DPP4DPP8DPP9OPRD1
SCHEMBL5736670 0.88 DPP4 (0.47) DPP4DPP8DPP9OPRD1
SCHEMBL7872449 0.86 DPP4 (0.41) DPP4DPP8DPP9OPRD1
SCHEMBL5736168 0.86 DPP4 (0.41) DPP4DPP8DPP9OPRD1
SCHEMBL5737130 0.84 DPP4 (0.38) DPP4DPP8DPP9OPRD1
SCHEMBL5744641 0.81 OPRD1 (0.39) DPP4DPP8DPP9OPRD1
SCHEMBL5735624 0.81 DPP4 (0.40) DPP4DPP8DPP9OPRD1
SCHEMBL5736663 0.80 DPP4 (0.43) DPP4DPP8DPP9OPRD1
SCHEMBL5733385 0.80 DPP4 (0.40) DPP4DPP8DPP9OPRD1

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
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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