SCHEMBL30432774

SCHEMBL30432774

CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 11/20 0.53
▸ PRMT1 Q99873 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL16055575 0.91 RXFP1 (0.48) OPRL1RXFP1
SCHEMBL31319519 0.90 OPRM1 (0.46) OPRL1RXFP1
SCHEMBL30431362 0.89 OPRL1 (0.54) OPRL1
Parasin I SCHEMBL29412266 0.86 OPRL1 (0.52) OPRL1
SCHEMBL29625292 0.86 OPRL1 (0.50) OPRL1RXFP1
SCHEMBL29625291 0.85 OPRL1 (0.50) OPRL1
SCHEMBL9058977 0.85 GLP1R (0.52) OPRL1RXFP1
SCHEMBL9058969 0.85 GLP1R (0.52) OPRL1RXFP1
SCHEMBL30804668 0.84 OPRL1 (0.49) OPRL1RXFP1
SCHEMBL30094606 0.84 OPRL1 (0.48) OPRL1PRMT1

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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