SCHEMBL6464028

SCHEMBL6464028

CC=C[C@@H]1CC[C@@H]2CC(c3ccc(OC(F)(F)F)cc3)CC[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 2/20 0.35
RCOR1 Q9UKL0 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
PDE2A O00408 3/20 0.31
CNR1 P21554 1/20 0.31
F2R P25116 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
DHODH Q02127 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL6464035 1.00 HRH3 (0.37) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL6464032 1.00 HRH3 (0.37) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL5684508 0.94 HRH3 (0.35) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL5684513 0.94 HRH3 (0.35) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL2741560 0.85 L3MBTL1 (0.40) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL6457866 0.84 KDM1A (0.37) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL6457862 0.84 KDM1A (0.37) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL6457876 0.84 KDM1A (0.37) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL6453490 0.84 L3MBTL1 (0.38) HRH3L3MBTL1KDM1ARCOR1MEN1
SCHEMBL6458308 0.84 MEN1 (0.38) HRH3L3MBTL1KDM1ARCOR1MEN1

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