SCHEMBL8670568

SCHEMBL8670568

CC(C)(CCl)C(=O)NC1CCN(c2cccc(OCC(F)(F)F)c2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 4/20 0.46
HDAC6 Q9UBN7 2/20 0.43
LIPE Q05469 5/20 0.42
MCHR1 Q99705 5/20 0.42
SSTR1 P30872 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL8552381 0.89 MCHR1 (0.47) SSTR4HDAC6MCHR1SSTR1DRD2
SCHEMBL8670567 0.86 MCHR1 (0.39) SSTR4HDAC6MCHR1SSTR1DRD2
SCHEMBL8670578 0.85 HDAC6 (0.40) SSTR4HDAC6MCHR1HDAC1HDAC8
SCHEMBL8595364 0.81 MCHR1 (0.47) HDAC6MCHR1DRD2DRD3ROCK2
SCHEMBL8554800 0.80 MCHR1 (0.46) HDAC6MCHR1DRD2DRD3ROCK2
SCHEMBL8555027 0.77 HDAC6 (0.43) HDAC6ALDH1A1POLBDRD2DRD3
SCHEMBL8554783 0.77 HDAC6 (0.39) SSTR4HDAC6SSTR1HDAC1HDAC8
SCHEMBL8552408 0.76 MCHR1 (0.47) HDAC6MCHR1DRD2DRD3ROCK2
SCHEMBL8662424 0.71 MCHR1 (0.39) MCHR1DRD2DRD3
SCHEMBL8554346 0.70 MCHR1 (0.40) MCHR1DRD2DRD3

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-5705456-A AZETIDIN-2-ONES ZENECA LIMITED (GB) 1998-01-06 US disclosed