SCHEMBL436178

SCHEMBL436178

CC1(C(=O)NC(C)(C)c2cccc(-c3ccc4c(c3)CCC(C(=O)NO)C4)c2)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.35
ASIC3 Q9UHC3 1/20 0.33
SLC5A1 P13866 3/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
GHSR Q92847 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL435693 0.86 SSTR4 (0.33) GHSR
SCHEMBL434259 0.85 F10 (0.39) FAAHGHSRHDAC1
SCHEMBL435890 0.85 FAAH (0.37) FAAH
SCHEMBL345716 0.77 KHK (0.40) GHSRHDAC1
SCHEMBL346196 0.77 GSK3B (0.46) FAAH
SCHEMBL436179 0.77 GRIA2 (0.35) FAAHOPRM1OPRD1OPRK1GHSR
SCHEMBL460073 0.75 HDAC1 (0.41) FAAHGHSRHDAC1
SCHEMBL346598 0.74 KHK (0.40) GHSRHDAC1HDAC8
SCHEMBL346787 0.71 GRIA2 (0.40) FAAHOPRM1OPRD1OPRK1GHSR
SCHEMBL436428 0.71 RAF1 (0.32) GHSR

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