SCHEMBL30080797

SCHEMBL30080797

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.51
▸ F2 P00734 1/20 0.45
▸ OPRD1 P41143 4/20 0.43
▸ NTSR1 P30989 2/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ ACE P12821 2/20 0.42
▸ CXCR4 P61073 2/20 0.40
▸ GRB2 P62993 1/20 0.39
▸ NMUR2 Q9GZQ4 1/20 0.39
▸ NMUR1 Q9HB89 1/20 0.39
▸ NTMT1 Q9BV86 1/20 0.39

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
SCHEMBL30069733 0.90 OPRM1 (0.54) OPRM1F2OPRD1NTSR1NTSR2
SCHEMBL29495157 0.90 CXCR4 (0.51) OPRM1OPRD1CXCR4NMUR2NMUR1
SCHEMBL29886085 0.89 EPHA2 (0.49) OPRM1OPRD1CXCR4NMUR2NMUR1
SCHEMBL31633428 0.87 CXCR4 (0.54) CXCR4NMUR2NMUR1
SCHEMBL29677082 0.87 F2 (0.49) OPRM1F2OPRD1NTSR1NTSR2
SCHEMBL20764559 0.86 OPRM1 (0.52) OPRM1F2OPRD1NTSR1NTSR2
SCHEMBL2317887 0.86 CXCR4 (0.48) OPRM1OPRD1CXCR4NMUR2NMUR1
SCHEMBL28923776 0.86 CXCR4 (0.48) OPRM1OPRD1CXCR4NMUR2NMUR1
SCHEMBL2317896 0.86 CXCR4 (0.48) OPRM1OPRD1CXCR4NMUR2NMUR1
SCHEMBL29367074 0.86 BDKRB2 (0.50) OPRM1F2OPRD1NTSR1NTSR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055165-A1 TRANSTHYRETIN (TTR) IRNA COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATING OR PREVENTING TTR-ASSOCIATED OCULAR DISEASES Alnylam Pharmaceuticals, Inc. (US) 2022-09-14 — — EP claimed
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