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SCHEMBL30516459

SCHEMBL30516459

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.52
▸ NPY4R P50391 8/20 0.52
▸ NPY5R Q15761 8/20 0.52
▸ NPY1R P25929 6/20 0.52
▸ RAMP3 O60896 9/20 0.49
▸ CALCR P30988 9/20 0.49
▸ CXCR4 P61073 1/20 0.48
▸ GLP1R P43220 1/20 0.47
▸ GCGR P47871 1/20 0.47
▸ GIPR P48546 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
SCHEMBL30516446 0.91 RAMP3 (0.48) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30516429 0.90 RAMP3 (0.47) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29859479 0.88 NPY2R (0.51) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30516442 0.88 NPY2R (0.52) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31670634 0.87 NPY2R (0.47) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30432336 0.87 NPY2R (0.56) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29995301 0.85 OPRD1 (0.49) RAMP3CALCRCXCR4
SCHEMBL30032812 0.85 RAMP3 (0.50) RAMP3CALCR
SCHEMBL29724177 0.85 RAMP3 (0.50) RAMP3CALCR
SCHEMBL31670635 0.85 NPY2R (0.54) NPY2RNPY4RNPY5RNPY1RCXCR4

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-116375840-A Characteristic peptide segment for identifying turtle shell and detection method and application thereof 南京中医药大学 2023-07-04 — — CN claimed
CN-116375840-A Characteristic peptide segment for identifying turtle shell and detection method and application thereof 南京中医药大学 2023-07-04 — — CN disclosed