SCHEMBL435890

SCHEMBL435890

CC1(C(=O)NC(C)(C)c2cc(-c3ccc4c(c3)CCC(C(=O)NO)C4)ccn2)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.37
GSK3B P49841 4/20 0.34
ANO1 Q5XXA6 1/20 0.34
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
HDAC4 P56524 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
SCHEMBL436178 0.85 FAAH (0.35) FAAH
SCHEMBL346196 0.84 GSK3B (0.46) FAAHGSK3B
SCHEMBL435693 0.80 SSTR4 (0.33) RAF1BRAF
SCHEMBL434259 0.78 F10 (0.39) FAAH
SCHEMBL12505567 0.78 FAAH (0.36) FAAHGSK3B
SCHEMBL435891 0.78 FAAH (0.36) FAAHGSK3BRAF1BRAF
SCHEMBL345716 0.76 KHK (0.40)
SCHEMBL345400 0.75 GSK3B (0.43) FAAHGSK3B
SCHEMBL10197873 0.73 KARS1 (0.45) FAAHGSK3B
SCHEMBL346598 0.72 KHK (0.40) RAF1BRAF

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