SCHEMBL846002

SCHEMBL846002

O=C(Nc1cc2ccccc2nc1Cl)Oc1ccc2c(c1)CCN2C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
KDM4E B2RXH2 1/20 0.39
FAAH O00519 1/20 0.38
EPHX1 P07099 1/20 0.38
MAPT P10636 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
SCHEMBL846079 0.85 NPC1 (0.43) MAPT
SCHEMBL846445 0.83 KDM4E (0.48) KDM4EFAAH
SCHEMBL845795 0.81 HCAR2 (0.43)
SCHEMBL845796 0.81 HCAR2 (0.43)
SCHEMBL846996 0.79 KDM4E (0.42) ACHEKDM4EFAAHEPHX1
SCHEMBL846565 0.70 SMN1; SMN2 (0.47) KDM4EFAAHMAPT
SCHEMBL845800 0.69 TRPV1 (0.59) KDM4EMAPT
SCHEMBL29238374 0.68 MAPT (0.57) KDM4EMAPT
SCHEMBL846653 0.66 KDM4E (0.46) KDM4EFAAHMAPT
SCHEMBL845811 0.66 MEN1 (0.49) KDM4EMAPT

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-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed