SCHEMBL8894741

SCHEMBL8894741

NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.61
ECE1 P42892 1/20 0.58
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
NPY4R P50391 1/20 0.57

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
SCHEMBL8895364 1.00 GHSR (0.61) GHSRECE1NPY1RNPY2RNPY4R
SCHEMBL8896981 1.00 GHSR (0.61) GHSRECE1NPY1RNPY2RNPY4R
SCHEMBL8894890 0.99 GHSR (0.59) GHSRECE1
SCHEMBL8896053 0.96 ECE1 (0.60) GHSRECE1
SCHEMBL8894262 0.96 ECE1 (0.60) GHSRECE1
SCHEMBL8896669 0.94 GHSR (0.55) GHSRNPY1RNPY2RNPY4R
SCHEMBL8896673 0.94 NPY1R (0.55) GHSRNPY1RNPY2RNPY4R
SCHEMBL8895453 0.94 NPY1R (0.55) GHSRNPY1RNPY2RNPY4R
SCHEMBL8894507 0.92 ECE1 (0.59) GHSRECE1
SCHEMBL8893523 0.92 ECE1 (0.59) GHSRECE1

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