SCHEMBL31575705

SCHEMBL31575705

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.61
▸ OPRD1 P41143 6/20 0.60
▸ OPRM1 P35372 5/20 0.60
▸ BDKRB2 P30411 2/20 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
SCHEMBL31254508 0.93 F2 (0.61) F2OPRD1OPRM1
SCHEMBL31575698 0.92 F2 (0.56) F2OPRD1OPRM1
SCHEMBL31206203 0.85 BDKRB2 (0.61) F2OPRD1OPRM1BDKRB2
SCHEMBL31127572 0.84 OPRM1 (0.56) F2OPRD1OPRM1
SCHEMBL30498968 0.84 F2 (0.60) F2OPRD1OPRM1
SCHEMBL30634956 0.84 BDKRB2 (0.57) F2OPRD1OPRM1BDKRB2
SCHEMBL30149867 0.84 BDKRB2 (0.57) F2OPRD1OPRM1BDKRB2
SCHEMBL30974025 0.83 OPRM1 (0.58) OPRD1OPRM1
SCHEMBL30974525 0.83 OPRM1 (0.55) OPRD1OPRM1BDKRB2
SCHEMBL30443402 0.83 F2 (0.69) F2OPRD1OPRM1

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-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 — — CN disclosed
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