SCHEMBL9068523

SCHEMBL9068523

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PGGT1B P53609 1/20 0.45
NPY4R P50391 11/20 0.45
NPY5R Q15761 9/20 0.45
NPY1R P25929 8/20 0.45
NPY2R P49146 6/20 0.45
NOD1 Q9Y239 3/20 0.41
FOLH1 Q04609 1/20 0.38

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
SCHEMBL11205897 0.95 FNTA (0.52) FNTAFNTBPGGT1BNPY4RNPY5R
SCHEMBL11210708 0.94 FNTA (0.53) FNTAFNTBPGGT1BNPY4RNPY5R
SCHEMBL11210310 0.94 FNTA (0.53) FNTAFNTBPGGT1BNPY4RNPY5R
SCHEMBL9068559 0.90 NPY4R (0.42) FNTAFNTBPGGT1BNPY4RNPY5R
SCHEMBL11067431 0.89 MME (0.44) FNTAFNTBPGGT1BNPY4RNPY5R
SCHEMBL10918983 0.88 NPY4R (0.41) FNTAFNTBPGGT1BNPY4RNPY5R
SCHEMBL9069166 0.86 NPY4R (0.43) FNTAFNTBPGGT1BNPY4RNPY5R
SCHEMBL10914394 0.85 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9068524 0.85 NPY4R (0.46) FNTAFNTBPGGT1BNPY4RNPY5R
SCHEMBL10917343 0.83 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R

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