SCHEMBL3137597

SCHEMBL3137597

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

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 16/20 0.66
MT-CO1 P00395 1/20 0.48
CNR2 P34972 1/20 0.48

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 0.94 CCKAR (0.67) CCKARMT-CO1CNR2
SCHEMBL2357628 0.92 CCKAR (0.68) CCKARMT-CO1CNR2
SCHEMBL3612093 0.89 CCKAR (0.63) CCKAR
SCHEMBL12477368 0.87 CCKAR (0.68) CCKAR
SCHEMBL3980545 0.83 CCKAR (0.65) CCKAR
SCHEMBL3881950 0.82 CCKAR (0.52) CCKARMT-CO1CNR2
SCHEMBL502712 0.80 CCKAR (1.00) CCKAR
SCHEMBL502707 0.76 CCKAR (1.00) CCKAR
SCHEMBL2152386 0.74 CCKAR (0.92) CCKAR
SCHEMBL502739 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010179-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-07-07 EP disclosed