SCHEMBL6457129

SCHEMBL6457129

O=CCC[C@@H]1CC[C@@H]2CC(c3ccc(Cl)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.31
OPRL1 P41146 2/20 0.31
SLC6A2 P23975 3/20 0.31
FPR2 P25090 1/20 0.31
HTR7 P34969 1/20 0.31
SLC6A4 P31645 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
SCHEMBL6457133 1.00 PROKR1 (0.31) PROKR1OPRL1SLC6A2FPR2HTR7
SCHEMBL6454058 0.89 OPRL1 (0.31) OPRL1
SCHEMBL6454061 0.89 OPRL1 (0.31) OPRL1
SCHEMBL6458272 0.89 CCR2 (0.37)
SCHEMBL6458270 0.89 CCR2 (0.37)
SCHEMBL6457873 0.87 SLC6A2 (0.31) PROKR1SLC6A2SLC6A4
SCHEMBL6457859 0.87 SLC6A2 (0.31) PROKR1SLC6A2SLC6A4
SCHEMBL6457864 0.87 SLC6A2 (0.31) PROKR1SLC6A2SLC6A4
SCHEMBL6464731 0.86
SCHEMBL6464735 0.86

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