SCHEMBL31267124

SCHEMBL31267124

CC(C)[C@@H](NC(=O)CNC(=O)CN)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 8/20 0.59
▸ NMUR1 Q9HB89 8/20 0.59
▸ EPHA2 P29317 2/20 0.51
▸ IL23R Q5VWK5 1/20 0.50
▸ OPRD1 P41143 3/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ C5AR1 P21730 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ NTSR1 P30989 1/20 0.48
▸ TFPI P10646 1/20 0.47

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
SCHEMBL31267106 0.95 NMUR2 (0.61) NMUR2NMUR1EPHA2IL23ROPRD1
SCHEMBL31267101 0.93 NMUR2 (0.59) NMUR2NMUR1EPHA2OPRD1OPRM1
SCHEMBL31267111 0.93 NMUR2 (0.59) NMUR2NMUR1EPHA2OPRD1OPRM1
SCHEMBL31267122 0.92 NMUR2 (0.57) NMUR2NMUR1EPHA2IL23ROPRD1
SCHEMBL31267112 0.91 EPHA2 (0.58) NMUR2NMUR1EPHA2OPRM1STAT3
SCHEMBL31267100 0.91 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1C5AR1
SCHEMBL31267115 0.91 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1C5AR1
SCHEMBL31267116 0.91 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1C5AR1
SCHEMBL31267114 0.91 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1C5AR1
SCHEMBL31267123 0.91 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1C5AR1

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
CN-119143843-B CXCR4 targeting polypeptide and preparation method and application thereof 中国药科大学 2025-02-25 — — CN disclosed
CN-119143843-A CXCR4 targeting polypeptide and preparation method and application thereof 中国药科大学 2024-12-17 — — CN disclosed
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