SCHEMBL9506433

SCHEMBL9506433

CC(C)C(NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.52
NPY4R P50391 9/20 0.49
NPY1R P25929 5/20 0.49
NPY2R P49146 4/20 0.49
NPY5R Q15761 4/20 0.49
BACE2 Q9Y5Z0 2/20 0.45
CTSD P07339 1/20 0.45
IL23R Q5VWK5 1/20 0.44

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
SCHEMBL9513222 1.00 BACE1 (0.52) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL9506323 0.93 BACE1 (0.52) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL9508424 0.92 BACE1 (0.52) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL9551261 0.90 BACE1 (0.55) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30384921 0.87 BACE1 (0.56) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29379362 0.86 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9507127 0.85 NPY4R (0.49) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL17241345 0.85 NPY4R (0.65) NPY4RNPY1RNPY2RNPY5RIL23R
SCHEMBL17241349 0.85 NPY4R (0.65) NPY4RNPY1RNPY2RNPY5RIL23R
SCHEMBL9513260 0.85 NPY4R (0.53) BACE1NPY4RNPY1RNPY2RNPY5R

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
EP-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 EP disclosed
WO-1993004080-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY JAPAN TOBACCO INC. (JP) 1993-03-04 WO disclosed