SCHEMBL13287944

SCHEMBL13287944

CCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 7/20 0.43
▸ SSTR3 P32745 7/20 0.43
▸ SSTR2 P30874 7/20 0.43
▸ SSTR5 P35346 7/20 0.43
▸ SSTR1 P30872 5/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ UTS2R Q9UKP6 2/20 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
SCHEMBL12082904 0.91 OPRM1 (0.43) SSTR4SSTR3SSTR2SSTR5SSTR1
SCHEMBL16349623 0.80 PLAU (0.46) SSTR4SSTR3SSTR2SSTR5SSTR1
SCHEMBL13113585 0.80 PLAU (0.51) SSTR4SSTR3SSTR2SSTR5SSTR1
SCHEMBL16349705 0.77 SSTR2 (0.47) SSTR4SSTR3SSTR2SSTR5SSTR1
SCHEMBL13113566 0.75 SSTR2 (0.50) SSTR4SSTR3SSTR2SSTR5SSTR1
SCHEMBL13287941 0.74 SSTR2 (0.50) SSTR4SSTR3SSTR2SSTR5SSTR1
SCHEMBL12082795 0.73 IL23R (0.52) SSTR4SSTR3SSTR2SSTR5SSTR1
SCHEMBL22605969 0.66 OPRM1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL21973224 0.63 TEAD4 (0.44) OPRM1OPRD1OPRK1
SCHEMBL27778950 0.58 GLO1 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737252-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2010-06-15 — — US disclosed
US-7737252-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2010-06-15 — — US disclosed
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