SCHEMBL2657553

SCHEMBL2657553

CCOc1cccc(-c2[nH]c(-c3ccc(C)cc3F)nc2C(=O)N2CCN(c3cc(C(=O)O)c4ccccc4c3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 16/20 0.67
MT-CO1 P00395 2/20 0.56
CNR2 P34972 2/20 0.56

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
SCHEMBL3137597 0.94 CCKAR (0.66) CCKARMT-CO1CNR2
SCHEMBL12477368 0.90 CCKAR (0.68) CCKAR
SCHEMBL3980545 0.90 CCKAR (0.65) CCKAR
SCHEMBL2357628 0.88 CCKAR (0.68) CCKARMT-CO1CNR2
SCHEMBL3881950 0.88 CCKAR (0.52) CCKARMT-CO1CNR2
SCHEMBL3612093 0.83 CCKAR (0.63) CCKAR
SCHEMBL502739 0.81 CCKAR (1.00) CCKAR
SCHEMBL2152386 0.75 CCKAR (0.92) CCKAR
SCHEMBL502712 0.75 CCKAR (1.00) CCKAR
SCHEMBL502146 0.75 CCKAR (1.00) CCKAR

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
EP-1940842-B1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-05-30 EP disclosed
EP-2079688-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2009-07-22 EP disclosed
WO-2008042223-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2008-04-10 WO disclosed