SCHEMBL30446943

SCHEMBL30446943

CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ BACE1 P56817 7/20 0.57
▸ BACE2 Q9Y5Z0 3/20 0.57
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ PTPN1 P18031 2/20 0.53
▸ KISS1R Q969F8 4/20 0.52
▸ ACE P12821 1/20 0.52

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
SCHEMBL29549531 0.95 BACE1 (0.60) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL30680475 0.94 NPY1R (0.58) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL30198517 0.93 NPY4R (0.58) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL30567799 0.92 BACE1 (0.59) BACE1BACE2PTPN1
SCHEMBL1525876 0.92 BACE1 (0.64) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL18670433 0.92 BACE1 (0.64) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29630451 0.90 NAALAD2 (0.56) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29514853 0.89 BACE1 (0.58) BACE1BACE2PTPN1
SCHEMBL30799370 0.89 PTPN1 (0.66) BACE1BACE2PTPN1
SCHEMBL30799827 0.89 PTPN1 (0.66) BACE1BACE2PTPN1

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-116410961-A Tobacco etching virus protease fusion protein and preparation method and application thereof 重庆艾力彼生物科技有限公司 2023-07-11 — — CN claimed
CN-116410961-A Tobacco etching virus protease fusion protein and preparation method and application thereof 重庆艾力彼生物科技有限公司 2023-07-11 — — CN disclosed
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