SCHEMBL6458284

SCHEMBL6458284

CCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TRPV3 Q8NET8 1/20 0.31
PRKAA2 P54646 1/20 0.30
SSTR3 P32745 1/20 0.30
SSTR5 P35346 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6458285 1.00 PTGS2 (0.35) PTGS2PTGS1SLC6A2SLC6A4SLC6A3
SCHEMBL6452525 0.91 TRPV3 (0.31) TRPV3
SCHEMBL6452529 0.91 TRPV3 (0.31) TRPV3
SCHEMBL6452810 0.90 TRPV3 (0.30) TRPV3
SCHEMBL6452805 0.90 TRPV3 (0.30) TRPV3
SCHEMBL6459784 0.90 PTGS2 (0.37) PTGS2PTGS1SLC6A2SLC6A4SLC6A3
SCHEMBL6459786 0.90 PTGS2 (0.37) PTGS2PTGS1SLC6A2SLC6A4SLC6A3
SCHEMBL6453341 0.89 TRPV3 (0.33) TRPV3
SCHEMBL6453347 0.89 TRPV3 (0.33) TRPV3
SCHEMBL6456197 0.88 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3

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