SCHEMBL31267105

SCHEMBL31267105

CC(C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.55
▸ NMUR2 Q9GZQ4 5/20 0.52
▸ NMUR1 Q9HB89 5/20 0.52
▸ NTSR1 P30989 1/20 0.51
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ C5AR1 P21730 1/20 0.49
▸ TFPI P10646 1/20 0.48
▸ RAMP3 O60896 1/20 0.48
▸ CALCR P30988 1/20 0.48
▸ IL23R Q5VWK5 1/20 0.48
▸ CALCRL Q16602 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
SCHEMBL31267111 0.92 NMUR2 (0.59) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31267106 0.92 NMUR2 (0.61) EPHA2NMUR2NMUR1NTSR1OPRM1
SCHEMBL31267098 0.91 EPHA2 (0.53) EPHA2NMUR2NMUR1NTSR1OPRM1
SCHEMBL31267101 0.91 NMUR2 (0.59) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31267144 0.89 NMUR2 (0.60) EPHA2NMUR2NMUR1NTSR1OPRM1
SCHEMBL31267112 0.89 EPHA2 (0.58) EPHA2NMUR2NMUR1OPRM1
SCHEMBL31267109 0.89 EPHA2 (0.54) EPHA2NMUR2NMUR1NPY1RNPY2R
SCHEMBL31267119 0.88 NMUR2 (0.62) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31267114 0.87 NMUR2 (0.57) EPHA2NMUR2NMUR1OPRM1C5AR1
SCHEMBL31267133 0.87 NMUR2 (0.58) EPHA2NMUR2NMUR1OPRM1C5AR1

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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