SCHEMBL28201639

SCHEMBL28201639

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H]([C]=O)CO

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 14/20 0.50
▸ OPRM1 P35372 8/20 0.50
▸ OPRK1 P41145 2/20 0.50

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
SCHEMBL29472198 0.85 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL4088898 0.81 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL27650437 0.80 SLC7A5 (0.51) OPRD1OPRM1OPRK1
SCHEMBL2181844 0.80 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL30887562 0.79 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL29448580 0.78 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL29472190 0.78 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL238636 0.77 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL241107 0.77 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL29448576 0.77 OPRD1 (0.55) OPRD1OPRM1OPRK1

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-107739528-A A kind of pentapeptide is modified cyanine dye compound and its preparation method and application 武汉工程大学 2018-02-27 — — CN disclosed
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