SCHEMBL3881950

SCHEMBL3881950

CCOc1cccc(-c2[nH]c(-c3ccc(C)cc3F)nc2C(=O)N2CCC(O)(c3cc(C(=O)O)c4ccccc4c3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 14/20 0.52
MT-CO1 P00395 2/20 0.43
CNR2 P34972 2/20 0.43
CYP46A1 Q9Y6A2 1/20 0.40
MGLL Q99685 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
SCHEMBL2657553 0.88 CCKAR (0.67) CCKARMT-CO1CNR2
SCHEMBL3137597 0.82 CCKAR (0.66) CCKARMT-CO1CNR2
SCHEMBL2152585 0.81 CCKAR (0.79) CCKAR
SCHEMBL3980545 0.80 CCKAR (0.65) CCKAR
SCHEMBL12477368 0.78 CCKAR (0.68) CCKAR
SCHEMBL2357628 0.76 CCKAR (0.68) CCKARMT-CO1CNR2MGLL
SCHEMBL2152460 0.74 CCKAR (0.69) CCKAR
SCHEMBL3612093 0.73 CCKAR (0.63) CCKAR
SCHEMBL12510547 0.71 CCKAR (0.66) CCKAR
SCHEMBL2923432 0.70 CCKAR (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010519-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP claimed
WO-2007120655-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO claimed