SCHEMBL30622617

SCHEMBL30622617

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 8/20 0.54
▸ VIPR1 P32241 1/20 0.51
▸ TFPI P10646 1/20 0.50
▸ NPY2R P49146 7/20 0.49
▸ NPY4R P50391 7/20 0.49
▸ NPY5R Q15761 7/20 0.49
▸ NPY1R P25929 5/20 0.49
▸ NTSR2 O95665 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ GLP1R P43220 2/20 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
SCHEMBL30038033 0.87 KISS1R (0.61) KISS1RTFPINPY2RNPY4RNPY5R
SCHEMBL30277898 0.87 VIPR2 (0.56) KISS1RVIPR1NTSR2NTSR1
SCHEMBL29520980 0.87 VIPR2 (0.54) KISS1RVIPR1TFPINTSR2NTSR1
SCHEMBL29778027 0.87 VIPR2 (0.54) KISS1RVIPR1TFPINTSR2NTSR1
SCHEMBL30038639 0.87 KISS1R (0.60) KISS1RVIPR1TFPINPY2RNPY4R
SCHEMBL30030098 0.86 KISS1R (0.63) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL30827583 0.86 NPY4R (0.59) VIPR1TFPINPY2RNPY4RNPY5R
SCHEMBL30350026 0.85 KISS1R (0.56) KISS1RTFPINPY2RNPY4RNPY5R
SCHEMBL30038873 0.85 NPY4R (0.57) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL31000915 0.85 BACE1 (0.59) KISS1RVIPR1TFPIGLP1R

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-110878309-B Mycobacterium tuberculosis secretory protein ESAT-6 monoclonal antibody heavy chain and light chain variable region gene, coded polypeptide and application thereof 中国人民解放军第四军医大学 2023-09-26 — — CN disclosed
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