SCHEMBL31519871

SCHEMBL31519871

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CS)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 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.66
▸ NTSR1 P30989 3/20 0.60
▸ IL23R Q5VWK5 1/20 0.59
▸ OPRM1 P35372 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ 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 0.95 OPRD1 (0.66) OPRD1NTSR1IL23ROPRM1OPRK1
SCHEMBL31519869 0.94 OPRD1 (0.64) OPRD1NTSR1IL23ROPRM1OPRK1
SCHEMBL31519873 0.93 OPRD1 (0.62) OPRD1NTSR1IL23R
SCHEMBL29706151 0.87 OPRD1 (0.58) OPRD1NTSR1IL23R
SCHEMBL30598184 0.87 OPRD1 (0.58) OPRD1NTSR1IL23R
SCHEMBL30001568 0.86 RAMP3 (0.60) OPRD1NTSR1
SCHEMBL29627571 0.86 KEAP1 (0.59) OPRD1IL23ROPRM1
SCHEMBL11191224 0.85 OPRD1 (0.75) OPRD1NTSR1OPRM1OPRK1NTSR2
SCHEMBL30171303 0.85 OPRD1 (0.73) OPRD1NTSR1OPRM1OPRK1NTSR2
Analog Of Dynorphin A SCHEMBL27861937 0.85 OPRD1 (0.75) OPRD1NTSR1OPRM1OPRK1NTSR2

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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