SCHEMBL6459342

SCHEMBL6459342

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
GRM2 Q14416 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
SCHEMBL6459244 1.00 OPRL1 (0.33) OPRL1GAAMAPTTP53GRM2
SCHEMBL6459238 1.00 OPRL1 (0.33) OPRL1GAAMAPTTP53GRM2
SCHEMBL6459345 1.00 OPRL1 (0.33) OPRL1GAAMAPTTP53GRM2
SCHEMBL6451660 0.99 OPRL1 (0.33) OPRL1GAAMAPTTP53
SCHEMBL6451662 0.99 OPRL1 (0.33) OPRL1GAAMAPTTP53
SCHEMBL6458258 0.96 TP53 (0.34) OPRL1TP53
SCHEMBL6458262 0.96 TP53 (0.34) OPRL1TP53
SCHEMBL6451377 0.92 OPRL1 (0.35) OPRL1
SCHEMBL6451373 0.92 OPRL1 (0.35) OPRL1
SCHEMBL6458036 0.90 SLC6A4 (0.35) GAAMAPTTP53GRM2

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