SCHEMBL435891

SCHEMBL435891

CC(C)N(C(=O)C1(C)CCNCC1)c1cc(-c2ccc3c(c2)CCC(C(=O)NO)C3)ccn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.36
IDH1 O75874 1/20 0.35
GSK3B P49841 6/20 0.34
TP53BP1 Q12888 1/20 0.31
DYRK1A Q13627 2/20 0.31
WNT1 P04628 1/20 0.31
RAF1 P04049 2/20 0.30
BRAF P15056 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL12505567 0.87 FAAH (0.36) FAAHIDH1GSK3BTP53BP1
SCHEMBL436179 0.85 GRIA2 (0.35) FAAHOPRM1OPRD1OPRK1
SCHEMBL346196 0.80 GSK3B (0.46) FAAHGSK3B
SCHEMBL435694 0.80 GHSR (0.35) OPRM1OPRD1OPRK1
SCHEMBL435890 0.78 FAAH (0.37) FAAHGSK3BRAF1BRAF
SCHEMBL434259 0.74 F10 (0.39) FAAHTP53BP1
SCHEMBL10197873 0.72 KARS1 (0.45) FAAHGSK3BDYRK1A
SCHEMBL345716 0.72 KHK (0.40)
SCHEMBL346726 0.72 GSK3B (0.41) FAAHGSK3BDYRK1AWNT1
SCHEMBL345400 0.71 GSK3B (0.43) FAAHGSK3BDYRK1AWNT1

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-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed