SCHEMBL31410862

SCHEMBL31410862

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ NMBR P28336 2/20 0.47
▸ GRPR P30550 2/20 0.47
▸ VIPR2 P41587 3/20 0.46
▸ BACE1 P56817 7/20 0.46
▸ CALCR P30988 4/20 0.46
▸ BACE2 Q9Y5Z0 2/20 0.46
▸ VIPR1 P32241 3/20 0.46
▸ GLP1R P43220 1/20 0.45
▸ SCTR P47872 1/20 0.45
▸ CTSD P07339 1/20 0.45

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
SCHEMBL30974106 0.91 NPY4R (0.51) NPY1RNPY2RNPY4RNMBRGRPR
SCHEMBL30974558 0.89 TFPI (0.54) TFPINMBRGRPRVIPR2BACE1
SCHEMBL31307293 0.89 TFPI (0.56) TFPINMBRGRPRVIPR2CALCR
SCHEMBL30974601 0.89 TFPI (0.56) TFPINMBRGRPRVIPR2CALCR
SCHEMBL29808232 0.86 KISS1R (0.46) CALCRVIPR1GLP1RSCTR
SCHEMBL30512554 0.85 CRHR1 (0.52) NPY1RNPY2RVIPR2BACE1CALCR
SCHEMBL31410832 0.85 NPY4R (0.54) NPY1RNPY2RNPY4R
SCHEMBL30512688 0.85 TFPI (0.55) TFPICALCRGLP1RSCTR
SCHEMBL31115001 0.84 NPY4R (0.47) NPY1RNPY2RNPY4R
SCHEMBL29896010 0.84 CRHR1 (0.53) TFPIVIPR2BACE1CALCRBACE2

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
WO-2025002589-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdański (PL) 2025-01-02 — — WO disclosed
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