SCHEMBL6460293

SCHEMBL6460293

C[C@@H]1CC[C@@H]2CC(c3ccc4cc(OC(F)(F)F)ccc4c3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 9/20 0.38
TRPV1 Q8NER1 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
EPHX2 P34913 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
IDH1 O75874 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNA7 P36544 1/20 0.31
GPR3 P46089 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
SCHEMBL6460298 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3TRPV1HRH3
SCHEMBL6458563 0.86 FFAR4 (0.35) SLC6A2SLC6A4SLC6A3TRPV1HRH3
SCHEMBL6458557 0.86 FFAR4 (0.35) SLC6A2SLC6A4SLC6A3TRPV1HRH3
SCHEMBL6460474 0.85 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6460483 0.85 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6452713 0.84 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HRH3KDM1A
SCHEMBL6452710 0.84 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HRH3KDM1A
SCHEMBL6454321 0.84 L3MBTL1 (0.43) HRH3EPHX2KDM1ARCOR1L3MBTL1
SCHEMBL6454317 0.84 L3MBTL1 (0.43) HRH3EPHX2KDM1ARCOR1L3MBTL1
SCHEMBL6461538 0.84 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3TRPV1HRH3

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