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SCHEMBL30140914

SCHEMBL30140914

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.48
▸ CTSD P07339 3/20 0.48
▸ NPY4R P50391 3/20 0.43
▸ NPY1R P25929 2/20 0.43
▸ NPY2R P49146 2/20 0.43
▸ NPY5R Q15761 2/20 0.43
▸ TFPI P10646 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.42

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
SCHEMBL30140864 0.94 BACE1 (0.43) BACE1CTSDNPY4RNPY1RNPY5R
SCHEMBL31257159 0.93 TFPI (0.44) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL30804675 0.91 BACE1 (0.49) BACE1CTSDTFPIRXFP1
SCHEMBL31313312 0.91 SIRT2 (0.47) BACE1CTSD
SCHEMBL30272511 0.91 NPY4R (0.43) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL30566239 0.90 BACE1 (0.44) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31211768 0.90 NPY4R (0.46) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29496430 0.90 NPY4R (0.46) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29496470 0.90 NPY4R (0.46) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29777886 0.90 NPY4R (0.46) BACE1CTSDNPY4RNPY1RNPY2R

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
US-20230050804-A1 USE OF CCDC157 GENE AND MUTANT GENES THEREOF AS MOLECULAR MARKERS IN DIAGNOSIS OF MALE INFERTILITY DISEASES ZHEJIANG UNIVERSITY (CN) 2023-02-16 — — US disclosed