SCHEMBL6680407

SCHEMBL6680407

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.46
▸ NPY1R P25929 9/20 0.46
▸ NPY5R Q15761 8/20 0.46
▸ NPY2R P49146 5/20 0.46
▸ DPP7 Q9UHL4 2/20 0.37
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ NOS1 P29475 1/20 0.33

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
SCHEMBL2407969 0.94 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL4331923 0.86 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL3516208 0.84 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RGNAI3
SCHEMBL29947113 0.84 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL24121685 0.84 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL798116 0.84 DPP7 (0.37) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL8600479 0.84 DPP7 (0.37) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL5368601 0.84 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2R
SCHEMBL4576035 0.84 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2R
SCHEMBL288599 0.83 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1475435-A1 Prohormone/proprotein-proteinase crystal structure and use thereof Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-11-10 — — EP claimed
EP-1475435-A1 Prohormone/proprotein-proteinase crystal structure and use thereof Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-11-10 — — EP disclosed
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