SCHEMBL7714059

SCHEMBL7714059

CC(C)(C)OC(=O)NC1CCN(C(c2ccccc2)c2cccc(O)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 15/20 0.45
CCR5 P51681 1/20 0.39
KDM6A O15550 1/20 0.39
KCNA3 P22001 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
SCHEMBL7714056 1.00 KDM4D (0.45) KDM4DCCR5KDM6AKCNA3
SCHEMBL4557152 0.92 KCNA3 (0.43) KDM4DCCR5KCNA3
SCHEMBL7714833 0.91 KDM4D (0.43) KDM4D
SCHEMBL7714834 0.91 KDM4D (0.43) KDM4D
SCHEMBL7714015 0.81 SLC6A5 (0.41)
SCHEMBL7714012 0.81 SLC6A5 (0.41)
SCHEMBL7718989 0.74 NPY1R (0.45)
SCHEMBL7718985 0.74 NPY1R (0.45)
SCHEMBL325216 0.74 GAA (0.46)
SCHEMBL10264443 0.74 GAA (0.46)

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-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed