SCHEMBL31519869

SCHEMBL31519869

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.64
▸ NTSR1 P30989 4/20 0.61
▸ IL23R Q5VWK5 1/20 0.57
▸ OPRM1 P35372 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ NTSR2 O95665 1/20 0.55

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
SCHEMBL31519870 0.96 OPRD1 (0.66) OPRD1NTSR1IL23ROPRM1OPRK1
SCHEMBL31519873 0.94 OPRD1 (0.62) OPRD1NTSR1IL23R
SCHEMBL31519871 0.94 OPRD1 (0.66) OPRD1NTSR1IL23ROPRM1OPRK1
SCHEMBL30001568 0.88 RAMP3 (0.60) OPRD1NTSR1
SCHEMBL8780544 0.87 NTSR1 (0.59) OPRD1NTSR1NTSR2
SCHEMBL8780556 0.87 NTSR1 (0.59) OPRD1NTSR1NTSR2
SCHEMBL30906497 0.87 NPY2R (0.69) —
SCHEMBL10026200 0.87 NTSR1 (0.56) OPRD1NTSR1OPRM1OPRK1NTSR2
SCHEMBL31670651 0.87 NTSR1 (0.56) OPRD1NTSR1
SCHEMBL30312779 0.86 NTSR1 (0.72) NTSR1NTSR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063397-B Polypeptide targeting HER2 protein and application thereof in preparation of polypeptide coupling medicament 中国药科大学 2025-05-02 — — CN disclosed
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