SCHEMBL6455982

SCHEMBL6455982

CCCCCCCC1CC[C@@H]2CC(c3ccc4c(F)c(C(=O)OC)ccc4c3)CC[C@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
S1PR1 P21453 7/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
RAB9A P51151 1/20 0.31
SCN9A Q15858 1/20 0.30
PTGER2 P43116 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SGPL1 O95470 2/20 0.30
GRM2 Q14416 2/20 0.30
CRBN Q96SW2 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
SCHEMBL7917953 1.00 MAOA (0.34) MAOAMAOBS1PR1S1PR4S1PR5
SCHEMBL6463945 1.00 MAOA (0.34) MAOAMAOBS1PR1S1PR4S1PR5
SCHEMBL6463943 1.00 MAOA (0.34) MAOAMAOBS1PR1S1PR4S1PR5
SCHEMBL6456196 0.99 MAOA (0.32) MAOAMAOBS1PR1S1PR4S1PR5
SCHEMBL6456188 0.99 MAOA (0.32) MAOAMAOBS1PR1S1PR4S1PR5
SCHEMBL6455927 0.96 NAAA (0.32) MAOAMAOBRAB9ASCN9AALDH1A1
SCHEMBL6455934 0.96 NAAA (0.32) MAOAMAOBRAB9ASCN9AALDH1A1
SCHEMBL6456985 0.93 ALDH1A1 (0.36) SCN9AALDH1A1LMNAMAPT
SCHEMBL6456980 0.93 ALDH1A1 (0.36) SCN9AALDH1A1LMNAMAPT
SCHEMBL6453950 0.89 MAOA (0.36) MAOAMAOBS1PR1S1PR4S1PR5

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