SCHEMBL6455063

SCHEMBL6455063

CCCC1CC[C@@H]2C[C@H](CCc3ccc(OC(F)(F)F)cc3)CC[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
GCGR P47871 1/20 0.39
EPHX2 P34913 3/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TEAD1 P28347 2/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL6455066 1.00 TSHR (0.41) TSHRSLC6A4SLC6A3GCGREPHX2
SCHEMBL5686611 0.94 TSHR (0.39) TSHRSLC6A4SLC6A3GCGREPHX2
SCHEMBL5686617 0.94 TSHR (0.39) TSHRSLC6A4SLC6A3GCGREPHX2
SCHEMBL8447740 0.93 TSHR (0.43) TSHRSLC6A4SLC6A3GCGRDRD2
SCHEMBL4803252 0.93 TSHR (0.43) TSHRSLC6A4SLC6A3GCGRDRD2
SCHEMBL4803267 0.93 TSHR (0.43) TSHRSLC6A4SLC6A3GCGRDRD2
SCHEMBL5344231 0.92 TSHR (0.47) TSHRSLC6A4SLC6A3GCGRDRD2
SCHEMBL5344223 0.92 TSHR (0.47) TSHRSLC6A4SLC6A3GCGRDRD2
SCHEMBL7731607 0.86 GCGR (0.39) TSHRSLC6A4SLC6A3GCGREPHX2
SCHEMBL7731604 0.86 GCGR (0.39) TSHRSLC6A4SLC6A3GCGREPHX2

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