Sugi Predict

Sugi Predict / Compounds / SCHEMBL30516446

SCHEMBL30516446

SCHEMBL30516446

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 12/20 0.48
▸ CALCR P30988 12/20 0.48
▸ NPY2R P49146 6/20 0.47
▸ NPY4R P50391 6/20 0.47
▸ NPY5R Q15761 6/20 0.47
▸ NPY1R P25929 4/20 0.47
▸ CXCR4 P61073 1/20 0.46

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
SCHEMBL30516459 0.91 NPY2R (0.52) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29859479 0.89 NPY2R (0.51) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29724177 0.87 RAMP3 (0.50) RAMP3CALCR
SCHEMBL30516429 0.87 RAMP3 (0.47) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29855756 0.87 NPY2R (0.50) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29995301 0.87 OPRD1 (0.49) RAMP3CALCRCXCR4
SCHEMBL29870160 0.87 RAMP3 (0.47) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30032812 0.86 RAMP3 (0.50) RAMP3CALCR
SCHEMBL30516442 0.86 NPY2R (0.52) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29558218 0.85 OPRD1 (0.45) RAMP3CALCRNPY2RNPY4RNPY5R

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