SCHEMBL6458557

SCHEMBL6458557

C[C@@H]1CC[C@@H]2CC(c3cc(F)c4cc(OC(F)(F)F)ccc4c3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
EPHX2 P34913 1/20 0.32
PDE2A O00408 1/20 0.32
IDH1 O75874 5/20 0.32
GRM2 Q14416 1/20 0.31
MAPK7 Q13164 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL6458563 1.00 FFAR4 (0.35) FFAR4TRPV1HRH3EPHX2PDE2A
SCHEMBL6459501 0.87 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL6459496 0.87 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL6455509 0.86 FFAR4 (0.34) FFAR4TRPV1PDE2ASLC6A2SLC6A4
SCHEMBL6455510 0.86 FFAR4 (0.34) FFAR4TRPV1PDE2ASLC6A2SLC6A4
SCHEMBL6460298 0.86 SLC6A2 (0.38) FFAR4TRPV1HRH3EPHX2IDH1
SCHEMBL6460293 0.86 SLC6A2 (0.38) FFAR4TRPV1HRH3EPHX2IDH1
SCHEMBL6454287 0.84 FFAR4 (0.33) FFAR4TRPV1EPHX2
SCHEMBL6454289 0.84 FFAR4 (0.33) FFAR4TRPV1EPHX2
SCHEMBL6462671 0.83 HCRTR1 (0.30)

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