SCHEMBL27273945

SCHEMBL27273945

N[C@@H](Cc1cnc[nH]1)C(=O)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ NLN Q9BYT8 2/20 0.47
▸ REN P00797 1/20 0.47
▸ DPP4 P27487 1/20 0.47

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
SCHEMBL2586204 0.80 CYP3A4 (0.50) CYP3A4SLC7A5NLNDPP4
SCHEMBL11606914 0.80 CYP3A4 (0.50) CYP3A4SLC7A5NLNDPP4
SCHEMBL27448784 0.79 TRHR (0.49) REN
SCHEMBL27639586 0.79 TRHR (0.49) REN
SCHEMBL29792521 0.78 EPHX2 (0.51) CYP3A4SLC7A5REN
SCHEMBL31339185 0.78 EPHX2 (0.51) CYP3A4SLC7A5REN
SCHEMBL31339177 0.78 EPHX2 (0.51) CYP3A4SLC7A5REN
SCHEMBL27504185 0.78 TRHR (0.59) REN
SCHEMBL27273950 0.77 CTSC (0.37) REN
SCHEMBL27913326 0.76 CYP3A4 (0.69) CYP3A4SLC7A5NLN

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1020457-C Process for preparing novel derivatives of 1-methyl-4, 5-dihydroorotic acid and pharmaceutical compositions thereof TANABE SEIYAKU CO (JP) 1993-05-05 — — CN claimed
CN-85105655-A Process for preparing novel derivatives of 1-methyl-4, 5-dihydroorotic acid and pharmaceutical compositions thereof — 1987-01-28 — — CN claimed
CN-105949280-A Preparation method of Taltirelin and intermediate thereof 吉尔生化(上海)有限公司 2016-09-21 — — CN disclosed
CN-103665170-A Peptide therapeutic conjugates and uses thereof ANGIOCHEM INC 2014-03-26 — — CN disclosed
CN-102348723-A Peptide therapeutic agent conjugates and uses thereof ANGIOCHEM INC 2012-02-08 — — CN disclosed
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
CN-1020457-C Process for preparing novel derivatives of 1-methyl-4, 5-dihydroorotic acid and pharmaceutical compositions thereof TANABE SEIYAKU CO (JP) 1993-05-05 — — CN disclosed
CN-85105655-A Process for preparing novel derivatives of 1-methyl-4, 5-dihydroorotic acid and pharmaceutical compositions thereof — 1987-01-28 — — CN disclosed
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