SCHEMBL9505422

SCHEMBL9505422

CCCN(CCOc1c(Cl)cccc1Cl)CCC1=CC=C(OC(=O)N(C)C)C(O)(C(=O)N(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9503329 0.85 KDM4E (0.36) KDM4E
SCHEMBL9505420 0.83 KDM4E (0.37) KDM4E
SCHEMBL9503554 0.79 NPC1 (0.35) KDM4E
SCHEMBL9505419 0.72 NCEH1 (0.45)
SCHEMBL9503527 0.70 BCHE (0.40) BCHEACHEKDM4E
SCHEMBL9503326 0.64 SIGMAR1 (0.45)
SCHEMBL9505418 0.64 SIGMAR1 (0.43) KDM4E
SCHEMBL9503683 0.63 DRD2 (0.64) KDM4E
Hydrochloric Acid SCHEMBL9507149 0.62 DRD2 (0.63) KDM4E
SCHEMBL9503551 0.61 SIGMAR1 (0.41)

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
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed