SCHEMBL8863137

SCHEMBL8863137

CC(C)(C)CC(=O)NC1CCN(c2ccc(F)c(Br)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.45
HDAC6 Q9UBN7 8/20 0.44
MCHR1 Q99705 5/20 0.42
MAPT P10636 1/20 0.40
HDAC1 Q13547 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
FPR1 P21462 2/20 0.40
KCNQ2 O43526 1/20 0.37
LIPE Q05469 1/20 0.36

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
SCHEMBL8668113 0.94 FPR2 (0.41) FPR2HDAC6MCHR1MAPTHDAC1
SCHEMBL8300699 0.80 FPR2 (0.42) FPR2HDAC6MCHR1MAPTHDAC1
SCHEMBL8604544 0.78 HDAC6 (0.42) FPR2HDAC6MCHR1
SCHEMBL31347254 0.74 MCHR1 (0.46) FPR2HDAC6MCHR1HDAC1HDAC8
SCHEMBL8606629 0.72 MCHR1 (0.41) FPR2HDAC6MCHR1HDAC1HDAC8
SCHEMBL8555027 0.72 HDAC6 (0.43) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL8606291 0.68 MCHR1 (0.46) MCHR1
SCHEMBL16493351 0.66 FPR2 (0.56) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL4944455 0.66 HPGD (0.54) MAPTKCNQ2
SCHEMBL7812924 0.66 L3MBTL1 (0.52) FPR2HDAC6HDAC1HDAC8FPR1

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-5670656-A Process for preparing pyrrolidinones ZENECA LIMITED (GB) 1997-09-23 US disclosed