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SCHEMBL29696019

SCHEMBL29696019

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.49
▸ NPY1R P25929 7/20 0.49
▸ NPY2R P49146 5/20 0.49
▸ NPY5R Q15761 5/20 0.49
▸ BACE1 P56817 4/20 0.45
▸ CTSD P07339 3/20 0.45
▸ TFPI P10646 1/20 0.43
▸ KISS1R Q969F8 3/20 0.41

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
SCHEMBL29625167 0.98 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30692435 0.92 TFPI (0.47) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29886924 0.91 BACE1 (0.51) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29887053 0.91 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29837350 0.91 TFPI (0.47) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30525297 0.91 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30381394 0.90 TASP1 (0.49) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL30544308 0.90 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29837349 0.90 TFPI (0.46) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL31462927 0.89 TFPI (0.48) NPY4RNPY1RNPY2RNPY5RTFPI

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
EP-4003387-A1 FOCAL TREATMENT OF PROSTATE CANCER Nymox Corporation (US) 2022-06-01 — — EP disclosed
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