SCHEMBL6458913

SCHEMBL6458913

C/C=C/COc1ccc2cc(C3CCC4CC(CCCC)CCC4C3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 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
SCHEMBL6458916 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9ADRD2
SCHEMBL6458904 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9ADRD2
SCHEMBL6455842 0.97 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL6455837 0.97 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL6455833 0.97 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL6453411 0.96 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL6453417 0.96 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL6453407 0.96 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL6457487 0.96 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL6457493 0.96 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3RAB9A

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