SCHEMBL6456962

SCHEMBL6456962

CCCCC1CC[C@@H]2CC(c3ccc4cc(C(=O)OC)c(F)cc4c3)CC[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SCN9A Q15858 4/20 0.35
CRBN Q96SW2 1/20 0.35
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 8/20 0.32
SLC6A4 P31645 6/20 0.32
SLC6A2 P23975 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6456967 1.00 MAOA (0.35) MAOAMAOBSCN9ACRBNRAB9A
SCHEMBL6452963 0.97 MAOA (0.37) MAOAMAOBSCN9ACRBNRAB9A
SCHEMBL6452959 0.97 MAOA (0.37) MAOAMAOBSCN9ACRBNRAB9A
SCHEMBL6455006 0.96 MAOA (0.38) MAOAMAOBSCN9ACRBNRAB9A
SCHEMBL6462633 0.96 MAOA (0.38) MAOAMAOBSCN9ACRBNRAB9A
SCHEMBL6455003 0.96 MAOA (0.38) MAOAMAOBSCN9ACRBNRAB9A
SCHEMBL6462638 0.96 MAOA (0.38) MAOAMAOBSCN9ACRBNRAB9A
SCHEMBL6459848 0.94 ALDH1A1 (0.37) MAOAMAOBSCN9ACRBNSLC6A3
SCHEMBL6459854 0.94 ALDH1A1 (0.37) MAOAMAOBSCN9ACRBNSLC6A3
SCHEMBL6452677 0.90 SCN9A (0.37) SCN9ASLC6A3SLC6A4SLC6A2ALDH1A1

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