SCHEMBL29588409

SCHEMBL29588409

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.43
▸ NPY1R P25929 6/20 0.43
▸ NPY2R P49146 4/20 0.43
▸ NPY5R Q15761 4/20 0.43
▸ SLC15A2 Q16348 1/20 0.42
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40
▸ TUBB2B Q9BVA1 1/20 0.40
▸ TUBB1 Q9H4B7 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
SCHEMBL1071076 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RSLC15A2
SCHEMBL1071080 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RSLC15A2
SCHEMBL30525411 0.98 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RSLC15A2
SCHEMBL29754666 0.96 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RSLC15A2
SCHEMBL30277081 0.96 FOLH1 (0.41) NPY4RNPY1RNPY2RNPY5RSLC15A2
SCHEMBL31314316 0.96 FOLH1 (0.41) NPY4RNPY1RNPY2RNPY5RSLC15A2
SCHEMBL30272461 0.95 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RTUBB4A
SCHEMBL29638851 0.95 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RSLC15A2
SCHEMBL30947692 0.95 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RSLC15A2
SCHEMBL29754443 0.95 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RSLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380695-A Novel method for simply and quickly realizing C-C bond forming reaction 吉林大学 2022-04-22 — — CN claimed
CN-116585283-B Lansoprazole enteric capsule and preparation method thereof 桂林华信制药有限公司 2024-11-22 — — CN disclosed
CN-116807990-B Esomeprazole magnesium enteric capsule and preparation method thereof 桂林华信制药有限公司 2024-09-24 — — CN disclosed
CN-116807990-A Esomeprazole magnesium enteric capsule and preparation method thereof 桂林华信制药有限公司 2023-09-29 — — CN disclosed
CN-116585283-A Lansoprazole enteric capsule and preparation method thereof 桂林华信制药有限公司 2023-08-15 — — CN disclosed
CN-114380695-A Novel method for simply and quickly realizing C-C bond forming reaction 吉林大学 2022-04-22 — — CN disclosed
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