SCHEMBL8896673

SCHEMBL8896673

NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.55
NPY2R P49146 3/20 0.55
NPY4R P50391 3/20 0.55
GHSR Q92847 2/20 0.55

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
SCHEMBL8895453 1.00 NPY1R (0.55) NPY1RNPY2RNPY4RGHSR
SCHEMBL8896669 0.98 GHSR (0.55) NPY1RNPY2RNPY4RGHSR
SCHEMBL8896981 0.94 GHSR (0.61) NPY1RNPY2RNPY4RGHSR
SCHEMBL8894741 0.94 GHSR (0.61) NPY1RNPY2RNPY4RGHSR
SCHEMBL8895364 0.94 GHSR (0.61) NPY1RNPY2RNPY4RGHSR
SCHEMBL8894890 0.93 GHSR (0.59) GHSR
SCHEMBL12464358 0.93 NPY1R (0.59) NPY1RNPY2RNPY4R
SCHEMBL8894262 0.92 ECE1 (0.60) GHSR
SCHEMBL8896053 0.92 ECE1 (0.60) GHSR
SCHEMBL8894510 0.92 IL1RN (0.54) NPY1RNPY2RNPY4RGHSR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661128-A TREATING CANCER MERCK & CO. INC. (US) 1997-08-26 US claimed
US-5661128-A TREATING CANCER MERCK & CO. INC. (US) 1997-08-26 US disclosed
WO-1996010037-A1 PEPTIDE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed