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Sugi Predict / Compounds / SCHEMBL5508023

SCHEMBL5508023

SCHEMBL5508023

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.48
▸ CTSD P07339 3/20 0.47
▸ VIPR2 P41587 2/20 0.46
▸ KISS1R Q969F8 3/20 0.46
▸ NPY4R P50391 3/20 0.45
▸ NPY1R P25929 2/20 0.45
▸ NPY2R P49146 2/20 0.45
▸ NPY5R Q15761 2/20 0.45
▸ VIPR1 P32241 2/20 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
SCHEMBL30262036 0.93 VIPR1 (0.52) BACE1VIPR2KISS1RVIPR1
SCHEMBL29694507 0.91 VIPR2 (0.56) VIPR2VIPR1
SCHEMBL31410839 0.91 BACE1 (0.48) BACE1CTSDVIPR2KISS1RNPY4R
SCHEMBL31344448 0.91 NPY4R (0.49) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31484239 0.89 BACE1 (0.49) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31484224 0.89 BACE1 (0.49) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL30786594 0.89 NPY4R (0.47) VIPR2NPY4RNPY1RNPY2RNPY5R
SCHEMBL29777785 0.89 VIPR2 (0.49) BACE1CTSDVIPR2NPY4RNPY1R
SCHEMBL30262050 0.89 TFPI (0.50) BACE1CTSDKISS1RVIPR1
SCHEMBL30544308 0.89 NPY4R (0.51) BACE1CTSDKISS1RNPY4RNPY1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844070-A1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 — — EP disclosed
WO-2006077035-A9 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2006-10-26 — — WO disclosed
WO-2006077035-A1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2006-07-27 — — WO disclosed