SCHEMBL29482771

SCHEMBL29482771

CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.57
▸ CALCRL Q16602 1/20 0.51
▸ REN P00797 2/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ AGTR1 P30556 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ F2 P00734 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
SCHEMBL30567427 0.88 OPRM1 (0.56) SLC6A2OPRM1OPRD1
SCHEMBL25286047 0.88 CALCRL (0.42) SLC6A2CALCRLREN
SCHEMBL25286046 0.88 CALCRL (0.42) SLC6A2CALCRLREN
SCHEMBL31548693 0.87 CALCRL (0.59) SLC6A2CALCRLRENAGTR1AGTR2
SCHEMBL11157497 0.87 SLC6A2 (0.58) SLC6A2RENOPRM1OPRD1
SCHEMBL11157501 0.87 SLC6A2 (0.58) SLC6A2RENOPRM1OPRD1
SCHEMBL29770378 0.85 SLC6A2 (0.62) SLC6A2CALCRLREN
SCHEMBL13130786 0.85 EPHA2 (0.59) SLC6A2CALCRLOPRM1OPRD1
SCHEMBL29896174 0.85 SLC6A2 (0.56) SLC6A2OPRM1OPRD1F2
SCHEMBL31233755 0.85 SLC6A2 (0.64) SLC6A2CALCRLOPRM1OPRD1F2

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-20240180997-A1 PEPTIDE INHIBITORS OF NF KAPPA B AND USE THEREOF IN TREATMENT OF COVID-19 AND INFLAMMATORY DISEASES BHATNAGAR RAJENDRA SAHAI (US) 2024-06-06 — — US disclosed
EP-4203988-A2 PEPTIDE INHIBITORS OF NF KAPPA B AND USE THEREOF IN TREATMENT OF COVID-19 AND INFLAMMATORY DISEASES Bhatnagar, Rajendra, Sahai (US) 2023-07-05 — — EP disclosed
WO-2022047225-A2 PEPTIDE INHIBITORS OF NF KAPPA B AND USE THEREOF IN TREATMENT OF COVID-19 AND INFLAMMATORY DISEASES BHATNAGAR RAJENDRA SAHAI (US) 2022-03-03 — — WO disclosed
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