SCHEMBL4576035

SCHEMBL4576035

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.48
▸ NPY1R P25929 7/20 0.48
▸ NPY2R P49146 5/20 0.48
▸ NPY5R Q15761 5/20 0.48
▸ KISS1R Q969F8 1/20 0.45
▸ CTSC P53634 1/20 0.43
▸ FNTA P49354 3/20 0.41
▸ FNTB P49356 3/20 0.41
▸ PGGT1B P53609 3/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ RNPEP Q9H4A4 1/20 0.41
▸ DNPEP Q9ULA0 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
SCHEMBL5368601 1.00 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL1119077 0.97 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL5357516 0.97 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL1711701 0.88 GNPAT (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29540393 0.88 GNPAT (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL5966594 0.88 GNPAT (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL5966602 0.88 GNPAT (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL1711691 0.88 GNPAT (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL7785244 0.88 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL7292029 0.88 GNPAT (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R

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-2683396-A1 FACTOR XII INHIBITORS FOR THE TREATMENT OF SILENT BRAIN ISCHEMIA AND ISCHEMIA OF OTHER ORGANS CSL Behring GmbH (DE) 2014-01-15 — — EP claimed
WO-2012120124-A1 FACTOR XII INHIBITORS FOR THE TREATMENT OF SILENT BRAIN ISCHEMIA AND ISCHEMIA OF OTHER ORGANS CSL BEHRING GMBH (DE) 2012-09-13 — — WO claimed
WO-2008091692-A2 METHODS OF DIAGNOSING, TREATING, AND PREVENTING INCREASED VASCULAR PERMEABILITY JOSLIN DIABETES CENTER, INC. (US) 2008-07-31 — — WO claimed
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