SCHEMBL8012242

SCHEMBL8012242

NC(=O)CCC1CCN(CC(O)Nc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
BCHE P06276 2/20 0.43
CCR3 P51677 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL8019085 0.76 PRMT5 (0.41) ACHEBCHECCR3MEN1KMT2A
SCHEMBL26096555 0.75 ACHE (0.72) ACHEBCHECCR3
SCHEMBL8016039 0.73 CCR3 (0.60) ACHEBCHECCR3
SCHEMBL8009143 0.71 GAA (0.41) CCR3MEN1KMT2ACARM1HTT
SCHEMBL8022861 0.71 ACHE (0.46) ACHEBCHEHDAC3HDAC4HDAC1
SCHEMBL8019455 0.70 MCHR1 (0.56) CCR3MEN1KMT2ASLC6A4SLC6A3
SCHEMBL8693005 0.70 TMEM97 (0.60)
SCHEMBL12059418 0.66 BCHE (0.66) ACHEBCHEKMT2A
SCHEMBL5031402 0.65 MAPT (0.44) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL6986592 0.65 MEN1 (0.64) CCR3MEN1KMT2ACARM1PRMT6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 EP disclosed
WO-2000023076-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-04-27 WO disclosed