SCHEMBL6451373

SCHEMBL6451373

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.35
SLC6A3 Q01959 3/20 0.32
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
CYP2C9 P11712 1/20 0.30
DRD2 P14416 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 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
SCHEMBL6451377 1.00 OPRL1 (0.35) OPRL1SLC6A3FPR2PROKR1CYP2C9
SCHEMBL6458258 0.94 TP53 (0.34) OPRL1
SCHEMBL6458262 0.94 TP53 (0.34) OPRL1
SCHEMBL6451660 0.93 OPRL1 (0.33) OPRL1
SCHEMBL6451662 0.93 OPRL1 (0.33) OPRL1
SCHEMBL6459238 0.92 OPRL1 (0.33) OPRL1
SCHEMBL6459342 0.92 OPRL1 (0.33) OPRL1
SCHEMBL6459244 0.92 OPRL1 (0.33) OPRL1
SCHEMBL6459345 0.92 OPRL1 (0.33) OPRL1
SCHEMBL6454374 0.91 OPRL1 (0.34) OPRL1SLC6A3FPR2PROKR1SLC6A2

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