SCHEMBL6458258

SCHEMBL6458258

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
OPRL1 P41146 5/20 0.34

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
SCHEMBL6458262 1.00 TP53 (0.34) TP53OPRL1
SCHEMBL6451662 0.97 OPRL1 (0.33) TP53OPRL1
SCHEMBL6451660 0.97 OPRL1 (0.33) TP53OPRL1
SCHEMBL6459342 0.96 OPRL1 (0.33) TP53OPRL1
SCHEMBL6459244 0.96 OPRL1 (0.33) TP53OPRL1
SCHEMBL6459238 0.96 OPRL1 (0.33) TP53OPRL1
SCHEMBL6459345 0.96 OPRL1 (0.33) TP53OPRL1
SCHEMBL6451377 0.94 OPRL1 (0.35) OPRL1
SCHEMBL6451373 0.94 OPRL1 (0.35) OPRL1
SCHEMBL6460933 0.89 SLC6A4 (0.37) TP53OPRL1

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