SCHEMBL30798145

SCHEMBL30798145

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.66
BACE2 Q9Y5Z0 6/20 0.66
CTSD P07339 2/20 0.56
OPRD1 P41143 1/20 0.55
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
NPY4R P50391 1/20 0.54

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
SCHEMBL30798183 0.95 BACE1 (0.63) BACE1BACE2CTSDOPRD1
SCHEMBL30798078 0.94 OPRD1 (0.59) BACE1BACE2CTSDOPRD1
SCHEMBL30797994 0.93 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL30352879 0.91 BACE1 (0.65) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL30352847 0.91 BACE1 (0.65) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL30464728 0.87 NPY1R (0.60) BACE1BACE2CTSDOPRD1NPY1R
SCHEMBL8837270 0.86 BACE1 (0.61) BACE1BACE2CTSDOPRD1NPY1R
SCHEMBL8837262 0.86 BACE1 (0.61) BACE1BACE2CTSDOPRD1NPY1R
SCHEMBL31208240 0.86 BACE1 (0.64) BACE1BACE2CTSDOPRD1NPY1R
SCHEMBL30872253 0.86 BACE1 (0.65) BACE1BACE2CTSDOPRD1

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-113832213-B Mycoplasma detection culture medium and preparation method thereof 北京兴德通医药科技股份有限公司 2024-03-12 CN disclosed