SCHEMBL30715835

SCHEMBL30715835

O=C(O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.58
▸ OPRM1 P35372 3/20 0.57
▸ DPP3 Q9NY33 3/20 0.56
▸ CCKBR P32239 8/20 0.53
▸ OPRD1 P41143 1/20 0.52
▸ OPRK1 P41145 1/20 0.52

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
SCHEMBL29812309 0.90 DPP3 (0.64) TACR1OPRM1DPP3
SCHEMBL14214936 0.88 TACR1 (0.63) TACR1OPRM1OPRD1OPRK1
SCHEMBL29551519 0.87 GHSR (0.58) —
SCHEMBL31657628 0.87 GHSR (0.58) —
SCHEMBL30992101 0.86 DPP3 (0.59) TACR1OPRM1DPP3CCKBROPRD1
SCHEMBL31499405 0.85 KISS1R (0.59) OPRM1DPP3
SCHEMBL31362679 0.85 SLC6A2 (0.56) OPRM1OPRD1
SCHEMBL31037794 0.85 CXCL8 (0.55) OPRM1DPP3CCKBROPRD1
SCHEMBL30424046 0.85 DPP3 (0.67) OPRM1DPP3
SCHEMBL30511908 0.84 GHSR (0.56) OPRM1DPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126243-B Small molecular peptide PYPDW and application thereof 中国海洋大学 2024-01-26 — — CN claimed
CN-117126243-A Small molecular peptide PYPDW and application thereof 中国海洋大学 2023-11-28 — — CN claimed
CN-117126243-B Small molecular peptide PYPDW and application thereof 中国海洋大学 2024-01-26 — — CN disclosed
CN-117126243-B Small molecular peptide PYPDW and application thereof 中国海洋大学 2024-01-26 — — CN disclosed
CN-117126243-A Small molecular peptide PYPDW and application thereof 中国海洋大学 2023-11-28 — — CN disclosed
CN-117126243-A Small molecular peptide PYPDW and application thereof 中国海洋大学 2023-11-28 — — CN disclosed
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