SCHEMBL7723348

SCHEMBL7723348

CC(C)(C)OC(=O)N1CCC(CCC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.60
FAAH O00519 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
CETP P11597 1/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL7493900 0.85 KMT2A (0.53) GPR119FAAHKDM4EPKMPDE4A
SCHEMBL7732370 0.84 KDM4E (0.67) GPR119FAAHKDM4EPKMPDE4A
SCHEMBL20015578 0.84 GPR119 (0.59) GPR119FAAHKDM4EPKMCETP
SCHEMBL16616925 0.84 GPR119 (0.65) GPR119KDM4EPKM
SCHEMBL1714269 0.83 GPR119 (0.64) GPR119
SCHEMBL3096959 0.82 GPR119 (0.67) GPR119SIGMAR1
SCHEMBL3146175 0.82 GPR119 (0.60) GPR119KDM4EPKM
SCHEMBL17961712 0.82 GPR119 (0.58) GPR119KDM4EPKM
SCHEMBL1575722 0.82 GPR119 (0.57) GPR119FAAHKDM4EPKM
SCHEMBL2340177 0.82 GPR119 (0.71) GPR119FAAH

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
US-6399619-B1 PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV MERCK & CO., INC. 2002-06-04 US disclosed