SCHEMBL7495282

SCHEMBL7495282

CC(C)(C)OC(=O)N1CCC(CCN(O)C(=O)Cc2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.54
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL7497549 0.84 KDM4E (0.54) GPR119KDM4EPKMTHRB
SCHEMBL29566603 0.82 GPR119 (0.61) GPR119KDM4EPKMFAAHLMNA
SCHEMBL1088570 0.82 GPR119 (0.61) GPR119KDM4EPKMFAAHLMNA
SCHEMBL4330385 0.81 GPR119 (0.57) GPR119KDM4EPKMFAAHLMNA
SCHEMBL22594810 0.78 KDM4E (0.59) GPR119KDM4EPKMLMNATHRB
SCHEMBL18973366 0.78 GPR119 (0.56) GPR119KDM4EPKMFAAHLMNA
SCHEMBL3956276 0.77 GPR119 (0.54) GPR119KDM4E
SCHEMBL13391117 0.74 GPR119 (0.60) GPR119KDM4EPKMFAAH
SCHEMBL30793467 0.74 GPR119 (0.51) GPR119KDM4E
SCHEMBL4327219 0.74 GPR119 (0.56) GPR119KDM4EPKMFAAH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed