SCHEMBL30432263

SCHEMBL30432263

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 8/20 0.52
▸ IL23R Q5VWK5 2/20 0.50
▸ CCKAR P32238 1/20 0.49
▸ BACE1 P56817 2/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.48

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
SCHEMBL31433314 0.85 OPRM1 (0.48) IL23R
SCHEMBL31433308 0.85 IL23R (0.50) IL23R
SCHEMBL29831896 0.84 IL23R (0.55) CCKBRIL23RCCKAR
SCHEMBL31433403 0.84 OPRM1 (0.49) —
SCHEMBL29856025 0.83 TFPI (0.56) CCKBRIL23R
SCHEMBL30420308 0.83 OPRD1 (0.52) CCKBRBACE1BACE2
SCHEMBL29822708 0.83 OPRM1 (0.63) BACE1BACE2
SCHEMBL29994086 0.82 OPRD1 (0.64) —
SCHEMBL29705075 0.82 OPRD1 (0.56) CCKBRCCKAR
SCHEMBL30453994 0.82 FNTA (0.56) BACE1BACE2

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-20240342111-A1 ISOMER-SPECIFIC NEUROPROTECTIVE EFFECT OF NATURAL RESERVATROL UNIV SOUTH CAROLINA (US) 2024-10-17 — — US disclosed
US-20230201133-A1 Isomer-Specific Neuroprotective Effect of Natural Resveratrol UNIVERSITY OF SOUTH CAROLINA (US) 2023-06-29 — — US disclosed
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