SCHEMBL28659786

SCHEMBL28659786

CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.68
▸ SLC6A2 P23975 1/20 0.61
▸ OPRD1 P41143 1/20 0.59

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
SCHEMBL28659771 1.00 OPRM1 (0.68) OPRM1SLC6A2OPRD1
SCHEMBL22413054 0.94 OPRM1 (0.61) OPRM1SLC6A2OPRD1
SCHEMBL31332067 0.94 OPRM1 (0.61) OPRM1SLC6A2OPRD1
SCHEMBL22413057 0.94 OPRM1 (0.61) OPRM1SLC6A2OPRD1
SCHEMBL22413056 0.94 OPRM1 (0.61) OPRM1SLC6A2OPRD1
SCHEMBL29934419 0.91 XIAP (0.61) OPRM1SLC6A2OPRD1
SCHEMBL30445678 0.88 SLC6A2 (0.60) SLC6A2
SCHEMBL29548836 0.88 SLC6A2 (0.60) SLC6A2
SCHEMBL29368129 0.87 OPRM1 (0.74) OPRM1OPRD1
SCHEMBL30423227 0.87 OPRM1 (0.74) OPRM1SLC6A2OPRD1

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-113573723-A Synthetic neuromodulatory peptides 拉托科公司 2021-10-29 — — CN disclosed
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