SCHEMBL6454829

SCHEMBL6454829

CC[C@H]1CC[C@@H]2CC(c3ccc(C(=O)Oc4cc(F)c(C#N)c(F)c4)cc3F)CC[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.34
SCN9A Q15858 2/20 0.33
GRM2 Q14416 1/20 0.32
IDH1 O75874 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL6454832 1.00 FASN (0.34) FASNSCN9AGRM2IDH1GPR119
SCHEMBL6461418 0.93 FASN (0.35) FASNSCN9AGRM2IDH1
SCHEMBL6461415 0.93 FASN (0.35) FASNSCN9AGRM2IDH1
SCHEMBL6458495 0.91 FASN (0.34) FASNSCN9AGRM2IDH1
SCHEMBL6458502 0.91 FASN (0.34) FASNSCN9AGRM2IDH1
SCHEMBL6460069 0.90 FASN (0.34) FASNSCN9A
SCHEMBL6460070 0.90 FASN (0.34) FASNSCN9A
SCHEMBL6454682 0.90 FASN (0.33) FASNSCN9A
SCHEMBL6454680 0.90 FASN (0.33) FASNSCN9A
SCHEMBL6453805 0.90 FASN (0.33) FASNSCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed