SCHEMBL30463285

SCHEMBL30463285

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 5/20 0.62
▸ NTSR1 P30989 5/20 0.62
▸ F2 P00734 2/20 0.56
▸ SORT1 Q99523 3/20 0.53
▸ ERAP2 Q6P179 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.53
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ ACE P12821 2/20 0.52
▸ MME P08473 1/20 0.52
▸ CPA1 P15085 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ KISS1R Q969F8 2/20 0.49
▸ OPRD1 P41143 1/20 0.49

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
SCHEMBL29780331 0.97 NTSR1 (0.59) NTSR2NTSR1F2SORT1ERAP2
SCHEMBL9294767 0.96 NTSR2 (0.59) NTSR2NTSR1F2SORT1ERAP2
SCHEMBL9294748 0.96 NTSR2 (0.59) NTSR2NTSR1F2SORT1ERAP2
SCHEMBL29612288 0.94 NTSR1 (0.60) NTSR2NTSR1F2SORT1ERAP2
SCHEMBL29611893 0.93 NTSR1 (0.61) NTSR2NTSR1F2SORT1NPY1R
SCHEMBL31405782 0.90 BACE1 (0.55) NTSR2NTSR1F2OPRD1
SCHEMBL31720935 0.89 NTSR2 (0.61) NTSR2NTSR1F2SORT1NPY1R
SCHEMBL30523264 0.89 LNPEP (0.63) NTSR2NTSR1ERAP2LNPEPNPY1R
SCHEMBL29770017 0.89 NTSR2 (0.68) NTSR2NTSR1F2SORT1NPY1R
SCHEMBL11040848 0.89 OPRK1 (0.54) NTSR2NTSR1ERAP2LNPEPNPY1R

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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