SCHEMBL7415877

SCHEMBL7415877

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C]=O)CS

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.47
▸ NPY4R P50391 10/20 0.47
▸ NPY1R P25929 6/20 0.47
▸ NPY2R P49146 4/20 0.47
▸ NPY5R Q15761 4/20 0.47
▸ KISS1R Q969F8 2/20 0.46
▸ BACE1 P56817 1/20 0.43

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
SCHEMBL7459011 0.97 BACE1 (0.47) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL7419273 0.91 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7469871 0.90 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL7420426 0.89 NPY4R (0.48) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL7417585 0.88 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL7414767 0.87 F2 (0.49) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL7469236 0.86 IL23R (0.48) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL7414407 0.85 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31657703 0.85 KISS1R (0.53) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL7467426 0.84 PTH1R (0.48) KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 — — EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 — — EP disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 — — EP disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 — — WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 — — EP disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 — — WO disclosed
EP-0431113-A4 ATRIAL PEPTIDE DERIVATIVES — 1992-01-22 — — EP disclosed
EP-0431113-A1 ATRIAL PEPTIDE DERIVATIVES ABBOTT LABORATORIES (US) 1991-06-12 — — EP disclosed
WO-1990014362-A1 ATRIAL PEPTIDE DERIVATIVES ABBOTT LABORATORIES (US) 1990-11-29 — — WO disclosed
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