SCHEMBL29978629

SCHEMBL29978629

CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.56
▸ NPY1R P25929 11/20 0.56
▸ NPY5R Q15761 10/20 0.56
▸ NPY2R P49146 7/20 0.50

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
SCHEMBL29872146 0.96 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29938491 0.95 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30603184 0.92 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30213589 0.91 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29531964 0.91 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30371101 0.90 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29355526 0.90 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29414400 0.90 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7861255 0.89 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7861254 0.89 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R

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-115282277-A Modulating blood cerebrospinal fluid barrier permeability 纪念斯隆-凯特琳癌症中心 2022-11-04 — — CN claimed
CN-115282277-A Modulating blood cerebrospinal fluid barrier permeability 纪念斯隆-凯特琳癌症中心 2022-11-04 — — CN disclosed
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