SCHEMBL9407086

SCHEMBL9407086

CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=S)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 5/20 0.49
▸ ANPEP P15144 3/20 0.49
▸ OPRM1 P35372 4/20 0.44
▸ OPRD1 P41143 4/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ F2 P00734 4/20 0.42
▸ C5AR1 P21730 1/20 0.42
▸ REN P00797 1/20 0.42
▸ DPP3 Q9NY33 1/20 0.42

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
SCHEMBL9407098 0.89 SLC6A2 (0.52) LNPEPANPEPOPRM1OPRD1SLC6A2
SCHEMBL9407096 0.89 SLC6A2 (0.52) LNPEPANPEPOPRM1OPRD1SLC6A2
SCHEMBL31366723 0.82 LNPEP (0.54) LNPEPANPEPOPRD1F2
SCHEMBL30383056 0.82 F2 (0.53) LNPEPANPEPOPRM1OPRD1SLC6A2
SCHEMBL30495881 0.80 LNPEP (0.57) LNPEPANPEPOPRM1OPRD1SLC6A2
SCHEMBL29619755 0.80 LNPEP (0.63) LNPEPANPEPOPRM1SLC6A2C5AR1
SCHEMBL29823327 0.80 DPP3 (0.60) LNPEPANPEPOPRM1SLC6A2REN
SCHEMBL32691827 0.80 OPRM1 (0.55) OPRM1OPRD1SLC6A2F2C5AR1
SCHEMBL30382780 0.79 F2 (0.57) OPRM1OPRD1SLC6A2F2C5AR1
SCHEMBL4757555 0.79 LNPEP (0.56) LNPEPANPEPOPRM1OPRD1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300630-A Hexapeptide glycosylated at threonine linrage FRED HUTCHINSON CANCER RESEARCH INSTITUTE (US) 1994-04-05 — — US disclosed
US-5177015-A Onco-developmentally regulated α-N-acetylgalactosaminyltransferase FRED HUTCHINSON CANCER RESEARCH CENTRE (US) 1993-01-05 — — US disclosed
EP-0354652-A2 Novel alpha-N-acetylgalactosaminyltransferase and method of detecting tumour cells using same The Biomembrane Institute (US) 1990-02-14 — — EP disclosed
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