SCHEMBL9407098

SCHEMBL9407098

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.52
▸ LNPEP Q9UIQ6 8/20 0.51
▸ ANPEP P15144 3/20 0.51
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ F2 P00734 4/20 0.47
▸ C5AR1 P21730 1/20 0.47
▸ REN P00797 1/20 0.47
▸ DPP3 Q9NY33 1/20 0.46

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
SCHEMBL9407096 1.00 SLC6A2 (0.52) SLC6A2LNPEPANPEPOPRM1OPRD1
SCHEMBL31366723 0.91 LNPEP (0.54) LNPEPANPEPOPRD1F2
SCHEMBL9407086 0.89 LNPEP (0.49) SLC6A2LNPEPANPEPOPRM1OPRD1
SCHEMBL29619755 0.86 LNPEP (0.63) SLC6A2LNPEPANPEPOPRM1C5AR1
SCHEMBL30495881 0.85 LNPEP (0.57) SLC6A2LNPEPANPEPOPRM1OPRD1
SCHEMBL30724176 0.85 SLC6A2 (0.53) SLC6A2OPRM1OPRD1F2C5AR1
SCHEMBL30974546 0.85 C5AR1 (0.60) F2C5AR1
Angiotensin Iv SCHEMBL4322224 0.84 LNPEP (0.68) SLC6A2LNPEPANPEPF2REN
Angiotensin Iv SCHEMBL4322236 0.84 LNPEP (0.68) SLC6A2LNPEPANPEPF2REN
SCHEMBL31090172 0.84 SLC6A2 (0.64) SLC6A2LNPEPANPEPOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5177015-A Onco-developmentally regulated α-N-acetylgalactosaminyltransferase FRED HUTCHINSON CANCER RESEARCH CENTRE (US) 1993-01-05 — — US claimed
EP-0354652-A2 Novel alpha-N-acetylgalactosaminyltransferase and method of detecting tumour cells using same The Biomembrane Institute (US) 1990-02-14 — — EP claimed
US-5300630-A Hexapeptide glycosylated at threonine linrage FRED HUTCHINSON CANCER RESEARCH INSTITUTE (US) 1994-04-05 — — US disclosed
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
US-5177015-A Onco-developmentally regulated α-N-acetylgalactosaminyltransferase FRED HUTCHINSON CANCER RESEARCH CENTRE (US) 1993-01-05 — — US disclosed
EP-0354652-A3 NOVEL ALPHA-N-ACETYLGALACTOSAMINYLTRANSFERASE AND METHOD OF DETECTING TUMOUR CELLS USING SAME The Biomembrane Institute (US) 1991-07-17 — — EP 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
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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