SCHEMBL6205433

SCHEMBL6205433

NC(=O)CC1=COC=CO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL8190882 0.81 AKR1B1 (0.38) CA2
SCHEMBL28475451 0.58
SCHEMBL693912 0.58
SCHEMBL9653572 0.57
SCHEMBL25676 0.56 CES1 (0.64) CA2
SCHEMBL21184718 0.56 CA2 (0.56) CA2HTT
SCHEMBL11290860 0.56 CA2 (0.80) CA2
Hydrochloric Acid SCHEMBL1621316 0.55 CES1 (0.61) CA2
SCHEMBL10339219 0.55 CA2 (0.54) CA2
Hydrochloric Acid SCHEMBL3651517 0.55 CES1 (0.61) CA2

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-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 WO disclosed