SCHEMBL29531463

SCHEMBL29531463

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.46
▸ OPRM1 P35372 6/20 0.46
▸ OPRK1 P41145 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL30843955 1.00 OPRD1 (0.46) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL31199054 0.92 OPRD1 (0.44) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL29629478 0.91 LNPEP (0.44) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL30843968 0.90 NPY4R (0.44) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL30567410 0.90 BACE1 (0.38) OPRD1OPRM1BACE1MME
SCHEMBL30254038 0.90 BACE1 (0.38) OPRD1OPRM1BACE1MME
SCHEMBL30426861 0.90 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL29590286 0.89 FNTA (0.43) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL30629018 0.89 MME (0.47) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL29655487 0.88 BACE1 (0.54) OPRD1OPRM1BACE1

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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