SCHEMBL8300699

SCHEMBL8300699

CC(C)(C)CC(=O)N[C@H]1CCN(c2ccc(I)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.42
HDAC6 Q9UBN7 8/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC8 Q9BY41 7/20 0.42
FPR1 P21462 3/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MCHR1 Q99705 2/20 0.40
MAPT P10636 1/20 0.40
LIPE Q05469 2/20 0.39
ROCK2 O75116 1/20 0.37

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
SCHEMBL8297509 0.81 FPR2 (0.42) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL8863137 0.80 FPR2 (0.45) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL8668113 0.75 FPR2 (0.41) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL6361911 0.72 HDAC1 (0.47) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL5566079 0.69 MMP1 (0.44) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL5566073 0.69 MMP1 (0.44) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL16493351 0.68 FPR2 (0.56) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL7414726 0.68 FPR2 (0.54) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL7414725 0.68 FPR2 (0.54) FPR2HDAC6HDAC1HDAC8FPR1
SCHEMBL7933692 0.68 FPR2 (0.54) 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
WO-2004110434-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO disclosed