SCHEMBL6451869

SCHEMBL6451869

C=CC1CCC2CC(c3ccc(F)c(F)c3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33
USP5 P45974 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL6451866 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL6461351 0.87 SLC6A2 (0.32)
SCHEMBL6456736 0.87 SLC6A3 (0.34)
SCHEMBL6461349 0.87 SLC6A2 (0.32)
SCHEMBL6456743 0.87 SLC6A3 (0.34)
SCHEMBL6453970 0.86 USP5 (0.34) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL2847049 0.86 USP5 (0.34) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL8771448 0.86 USP5 (0.34) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL6456219 0.85 HTR2A (0.35) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL6456214 0.85 HTR2A (0.35) HTR2AHTR2CHTR2BKDM1AMAOB

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