SCHEMBL7548577

SCHEMBL7548577

CC(C)(C)OC(=O)N1CCC(C=CC(=O)c2cccnc2)CC1.CC(C)(C)OC(=O)N1CCC(CCC(=O)c2cccnc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.48
FAAH O00519 1/20 0.46
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NAMPT P43490 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL7548567 1.00 GPR119 (0.48) GPR119FAAHCCNA2CDK2KDM4E
SCHEMBL5764083 0.91 GPR119 (0.57) GPR119CCNA2CDK2KDM4EPKM
SCHEMBL5764087 0.91 GPR119 (0.57) GPR119CCNA2CDK2KDM4EPKM
SCHEMBL5762340 0.90 GPR119 (0.58) GPR119FAAHCCNA2CDK2KDM4E
SCHEMBL4237414 0.78 KDM4E (0.56) GPR119KDM4EPKM
SCHEMBL4237418 0.78 KDM4E (0.56) GPR119KDM4EPKM
SCHEMBL12892148 0.77 GPR119 (0.51) GPR119FAAHCCNA2CDK2KDM4E
SCHEMBL7732370 0.77 KDM4E (0.67) GPR119FAAHKDM4EPKM
SCHEMBL31663064 0.75 GPR119 (0.57) GPR119CCNA2CDK2KDM4EPKM
SCHEMBL6979528 0.74 KDM4E (0.76) GPR119CCNA2CDK2KDM4EPKM

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-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed