SCHEMBL6458923

SCHEMBL6458923

CCCCCCCC1CCC2CC(c3cc(F)c4cc(C(F)(F)F)ccc4c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
P2RY14 Q15391 1/20 0.32
DRD2 P14416 1/20 0.32
LSS P48449 2/20 0.32
IDO1 P14902 1/20 0.31
CNR2 P34972 8/20 0.30
EPHX2 P34913 1/20 0.30
MCHR1 Q99705 1/20 0.30
CNR1 P21554 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
SCHEMBL6455901 1.00 GAA (0.33) GAAMAPTP2RY14DRD2LSS
SCHEMBL6458915 1.00 GAA (0.33) GAAMAPTP2RY14DRD2LSS
SCHEMBL6455896 1.00 GAA (0.33) GAAMAPTP2RY14DRD2LSS
SCHEMBL6453031 0.99 DRD2 (0.32) GAAMAPTP2RY14DRD2LSS
SCHEMBL6453036 0.99 DRD2 (0.32) GAAMAPTP2RY14DRD2LSS
SCHEMBL6451469 0.96 DRD2 (0.33) DRD2IDO1EPHX2
SCHEMBL6451465 0.96 DRD2 (0.33) DRD2IDO1EPHX2
SCHEMBL6459954 0.92 OPRM1 (0.35) MAPTDRD2IDO1CNR2EPHX2
SCHEMBL6459949 0.92 OPRM1 (0.35) MAPTDRD2IDO1CNR2EPHX2
SCHEMBL6458036 0.88 SLC6A4 (0.35) GAAMAPTDRD2

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