SCHEMBL28684378

SCHEMBL28684378

CCCC[P+](CCCC)(CCCC)CCCC.C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 3/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ SLC15A1 P46059 1/20 0.39
▸ NPY4R P50391 13/20 0.39
▸ NPY1R P25929 9/20 0.39
▸ NPY5R Q15761 8/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35

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
SCHEMBL4587357 0.90 NPY4R (0.42) DPP7DPP8NPY4RNPY1RNPY5R
SCHEMBL2811185 0.90 NPY4R (0.42) DPP7DPP8NPY4RNPY1RNPY5R
SCHEMBL4588680 0.82 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RSIRT6
SCHEMBL2244099 0.82 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RSIRT6
SCHEMBL30472837 0.81 NOD1 (0.50) DPP7DPP8NPY4RNPY1RNPY5R
SCHEMBL30087525 0.81 NOD1 (0.50) DPP7DPP8NPY4RNPY1RNPY5R
SCHEMBL31454130 0.79 NOD1 (0.52) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL29697052 0.79 NOD1 (0.52) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL5598692 0.79 NOD1 (0.52) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL29787128 0.79 NOD1 (0.52) NPY4RNPY1RNPY5RNPY2RNOD1

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
CN-113912802-B Ionic polyimine network material and preparation method thereof 四川大学 2022-08-12 — — CN disclosed
CN-113912802-A Ionic type polyimine network material and preparation method thereof 四川大学 2022-01-11 — — CN disclosed
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