SCHEMBL5737135

SCHEMBL5737135

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.49
▸ DPP8 Q6V1X1 4/20 0.49
▸ DPP9 Q86TI2 4/20 0.49
▸ OPRD1 P41143 1/20 0.40
▸ TRHR P34981 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ FAP Q12884 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL5736436 0.87 DPP4 (0.42) DPP4DPP8DPP9OPRD1
SCHEMBL5736082 0.84 DPP4 (0.51) DPP4DPP8DPP9OPRD1TRHR
SCHEMBL5733388 0.82 DPP4 (0.52) DPP4DPP8DPP9OPRD1TRHR
SCHEMBL5733576 0.77 DPP4 (0.39) DPP4DPP8DPP9OPRD1
SCHEMBL5734729 0.74 DPP4 (0.69) DPP4DPP8DPP9OPRD1TRHR
SCHEMBL5735632 0.74 DPP4 (0.42) DPP4DPP8DPP9OPRD1
Hydrochloric Acid SCHEMBL5733139 0.73 DPP4 (0.68) DPP4DPP8DPP9OPRD1TRHR
Hydrochloric Acid SCHEMBL27504191 0.73 DPP4 (0.68) DPP4DPP8DPP9OPRD1TRHR
SCHEMBL14306793 0.73 DPP4 (0.71) DPP4DPP8DPP9OPRD1FAP
SCHEMBL14280924 0.73 DPP4 (0.71) DPP4DPP8DPP9OPRD1FAP

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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