SCHEMBL30463291

SCHEMBL30463291

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.42
▸ NPY4R P50391 8/20 0.41
▸ NPY5R Q15761 7/20 0.41
▸ NPY1R P25929 7/20 0.41
▸ NPY2R P49146 4/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL29619336 0.96 CPB2 (0.45) CPB2NPY4RNPY5RNPY1RNPY2R
SCHEMBL31265334 0.93 NPY4R (0.41) NPY4RNPY5RNPY1RNPY2R
SCHEMBL30111320 0.91 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2R
SCHEMBL30730451 0.90 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RRXFP1
SCHEMBL30197540 0.90 NPY5R (0.43) NPY4RNPY5RNPY1RNPY2R
SCHEMBL30118952 0.89 RXFP1 (0.49) RXFP1
SCHEMBL29571454 0.89 NPY4R (0.44) CPB2NPY4RNPY5RNPY1RNPY2R
SCHEMBL9614927 0.88 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2R
SCHEMBL15011349 0.88 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2R
SCHEMBL27732271 0.88 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116200385-A dsRNA for inhibiting rhizoctonia solani AG4 related genes and application thereof 河北农业大学 2023-06-02 — — CN disclosed
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