SCHEMBL9068524

SCHEMBL9068524

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 10/20 0.46
NPY1R P25929 7/20 0.46
NPY5R Q15761 6/20 0.46
MME P08473 3/20 0.41
NPY2R P49146 3/20 0.41
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
PGGT1B P53609 3/20 0.40
ECE1 P42892 1/20 0.39

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
SCHEMBL11067431 0.95 MME (0.44) NPY4RNPY1RNPY5RMMENPY2R
SCHEMBL10914543 0.89 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11333671 0.86 MME (0.50) NPY4RNPY1RNPY5RMMENPY2R
SCHEMBL9068559 0.86 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RFNTA
SCHEMBL2867874 0.86 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL9068939 0.85 NPY4R (0.43) NPY4RNPY1RNPY5RMMENPY2R
SCHEMBL11147609 0.85 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9450543 0.85 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29362097 0.85 FNTA (0.47) NPY4RNPY1RNPY5RNPY2RFNTA
SCHEMBL9068523 0.85 FNTA (0.45) NPY4RNPY1RNPY5RNPY2RFNTA

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed