SCHEMBL31106987

SCHEMBL31106987

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.43
▸ NPY1R P25929 8/20 0.43
▸ NPY2R P49146 6/20 0.43
▸ NPY5R Q15761 6/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ CPB2 Q96IY4 4/20 0.40
▸ CPB1 P15086 1/20 0.40

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
SCHEMBL31106975 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL16245417 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL16245414 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL30093772 0.96 NMT1 (0.47) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL30685283 0.94 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30092939 0.92 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL29782616 0.92 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL29570015 0.92 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL29901571 0.92 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL9819648 0.92 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RFOLH1

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-118684726-A Gly/Ser/Thr-Lys-Arg-Lys-gemcitabine, synthesis, activity and application thereof 首都医科大学 2024-09-24 — — CN claimed
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