SCHEMBL5737016

SCHEMBL5737016

CCOC(=O)N1C(=O)O[C@@H](C)[C@H]1C(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cscn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.47
▸ DPP8 Q6V1X1 2/20 0.47
▸ DPP9 Q86TI2 2/20 0.47
▸ OPRD1 P41143 3/20 0.39
▸ OPRM1 P35372 3/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ TRHR P34981 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ OPRK1 P41145 2/20 0.31

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
SCHEMBL5733506 0.91 DPP4 (0.50) DPP4DPP8DPP9OPRD1OPRM1
SCHEMBL5734860 0.88 DPP4 (0.52) DPP4DPP8DPP9OPRD1OPRM1
SCHEMBL5734647 0.86 DPP4 (0.47) DPP4DPP8DPP9OPRD1OPRM1
SCHEMBL5737014 0.83 DPP4 (0.47) DPP4DPP8DPP9OPRD1OPRM1
SCHEMBL5733159 0.82 DPP4 (0.46) DPP4DPP8DPP9OPRD1OPRM1
SCHEMBL5736082 0.80 DPP4 (0.51) DPP4DPP8DPP9OPRD1OPRM1
SCHEMBL7870435 0.79 DPP4 (0.43) DPP4DPP8DPP9OPRD1OPRM1
Hydrochloric Acid SCHEMBL5734085 0.79 DPP4 (0.42) DPP4DPP8DPP9OPRD1OPRM1
SCHEMBL5734227 0.75 DPP4 (0.53) DPP4DPP8DPP9OPRD1OPRM1
SCHEMBL5734729 0.73 DPP4 (0.69) DPP4DPP8DPP9OPRD1OPRM1

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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