SCHEMBL29531489

SCHEMBL29531489

C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 2/20 0.55
▸ ERAP2 Q6P179 1/20 0.55
▸ NPY4R P50391 4/20 0.54
▸ NPY1R P25929 3/20 0.54
▸ NPY2R P49146 3/20 0.54
▸ OPRD1 P41143 9/20 0.51
▸ OPRM1 P35372 6/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ NPY5R Q15761 2/20 0.49

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
SCHEMBL8908390 1.00 LNPEP (0.55) LNPEPERAP2NPY4RNPY1RNPY2R
SCHEMBL30266816 0.91 LNPEP (0.60) LNPEPERAP2NPY4RNPY1RNPY2R
SCHEMBL29611983 0.91 NPY4R (0.54) LNPEPERAP2NPY4RNPY1RNPY2R
SCHEMBL30977978 0.91 OPRK1 (0.55) LNPEPERAP2OPRK1
SCHEMBL30090915 0.91 LNPEP (0.64) LNPEPERAP2NPY4RNPY1RNPY2R
SCHEMBL23510635 0.90 LNPEP (0.60) LNPEPERAP2NPY4RNPY1RNPY2R
SCHEMBL23510636 0.90 LNPEP (0.60) LNPEPERAP2NPY4RNPY1RNPY2R
SCHEMBL29619337 0.89 LNPEP (0.53) LNPEPERAP2NPY4RNPY1RNPY2R
SCHEMBL29868240 0.89 OPRK1 (0.58) LNPEPERAP2OPRD1OPRM1OPRK1
SCHEMBL30931517 0.89 LNPEP (0.62) LNPEPERAP2NPY4RNPY1RNPY2R

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-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
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