SCHEMBL2152973

SCHEMBL2152973

Cc1ccc(-c2nc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)O)c4C)CC3)cn2-c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 18/20 0.76

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
Trifluoroacetic Acid SCHEMBL2204707 0.96 CCKAR (0.71) CCKAR
SCHEMBL2152223 0.88 CCKAR (0.78) CCKAR
SCHEMBL2152210 0.86 CCKAR (1.00) CCKAR
SCHEMBL3125889 0.83 CCKAR (1.00) CCKAR
SCHEMBL2152523 0.82 CCKAR (0.74) CCKAR
SCHEMBL2152165 0.81 CCKAR (0.78) CCKAR
SCHEMBL2152972 0.80 CCKAR (0.77) CCKAR
SCHEMBL502229 0.79 CCKAR (1.00) CCKAR
SCHEMBL12510286 0.79 CCKAR (0.83) CCKAR
SCHEMBL3135584 0.78 CCKAR (0.90) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010519-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-06 EP disclosed