SCHEMBL31257916

SCHEMBL31257916

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 2/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NPY2R P49146 8/20 0.52
▸ NPY4R P50391 8/20 0.52
▸ NPY5R Q15761 8/20 0.52
▸ NPY1R P25929 8/20 0.52
▸ SLC6A2 P23975 1/20 0.50
▸ AGTR1 P30556 3/20 0.49
▸ AGTR2 P50052 1/20 0.49
▸ ANPEP P15144 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49

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
SCHEMBL31366789 0.89 OPRM1 (0.54) NPY2RNPY4RNPY5RNPY1RSLC6A2
SCHEMBL30668166 0.86 NPY1R (0.59) NTSR1NTSR2NPY2RNPY4RNPY5R
SCHEMBL30692047 0.86 NPY2R (0.58) NTSR1NTSR2NPY2RNPY4RNPY5R
SCHEMBL31412202 0.84 NPY2R (0.62) NTSR1NTSR2NPY2RNPY4RNPY5R
SCHEMBL38660346 0.83 OPRD1 (0.62) NTSR1NTSR2NPY2RNPY4RNPY5R
SCHEMBL10437998 0.82 CALCR (0.62) NPY2RNPY4RNPY5RNPY1RAGTR1
SCHEMBL10438004 0.82 CALCR (0.62) NPY2RNPY4RNPY5RNPY1RAGTR1
SCHEMBL18911399 0.82 NTSR1 (0.57) NTSR1NTSR2NPY2RNPY4RNPY5R
SCHEMBL18911398 0.82 NTSR1 (0.57) NTSR1NTSR2NPY2RNPY4RNPY5R
SCHEMBL31366723 0.82 LNPEP (0.54) NTSR1NTSR2AGTR1ANPEPLNPEP

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
CN-119039443-A Anti-tumor antigen BAP31 monoclonal antibody, cy5-BAP31 direct labeling monoclonal antibody and application 中国人民解放军空军军医大学 2024-11-29 — — CN disclosed
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