SCHEMBL7414767

SCHEMBL7414767

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.49
▸ KISS1R Q969F8 2/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ NPY4R P50391 9/20 0.44
▸ NPY1R P25929 7/20 0.44
▸ NPY2R P49146 5/20 0.44
▸ NPY5R Q15761 5/20 0.44
▸ VIPR1 P32241 1/20 0.42
▸ VIPR2 P41587 1/20 0.42
▸ CTSD P07339 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41

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
SCHEMBL7420426 0.89 NPY4R (0.48) F2KISS1RBACE1NPY4RNPY1R
SCHEMBL7415877 0.87 F2 (0.47) F2KISS1RBACE1NPY4RNPY1R
SCHEMBL30938822 0.86 F2 (0.50) F2KISS1RBACE1NPY4RNPY1R
SCHEMBL7414407 0.86 NPY4R (0.54) KISS1RBACE1NPY4RNPY1RNPY2R
SCHEMBL7461891 0.86 ENPEP (0.46) —
SCHEMBL7469236 0.85 IL23R (0.48) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL7459011 0.85 BACE1 (0.47) F2KISS1RBACE1NPY4RNPY1R
SCHEMBL31657703 0.84 KISS1R (0.53) F2KISS1RBACE1NPY4RNPY1R
SCHEMBL7467426 0.83 PTH1R (0.48) KISS1R
SCHEMBL30543294 0.83 BACE1 (0.53) F2KISS1RBACE1NPY4RNPY1R

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-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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