SCHEMBL6451469

SCHEMBL6451469

CCCCC1CCC2CC(c3cc(F)c4cc(C(F)(F)F)ccc4c3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
IDO1 P14902 1/20 0.31
EPHX2 P34913 1/20 0.31
DPP4 P27487 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL6451465 1.00 DRD2 (0.33) DRD2IDO1EPHX2DPP4OPRM1
SCHEMBL6453036 0.97 DRD2 (0.32) DRD2IDO1EPHX2OPRM1OPRK1
SCHEMBL6453031 0.97 DRD2 (0.32) DRD2IDO1EPHX2OPRM1OPRK1
SCHEMBL6455901 0.96 GAA (0.33) DRD2IDO1EPHX2
SCHEMBL6458915 0.96 GAA (0.33) DRD2IDO1EPHX2
SCHEMBL6458923 0.96 GAA (0.33) DRD2IDO1EPHX2
SCHEMBL6455896 0.96 GAA (0.33) DRD2IDO1EPHX2
SCHEMBL6459954 0.94 OPRM1 (0.35) DRD2IDO1EPHX2OPRM1OPRK1
SCHEMBL6459949 0.94 OPRM1 (0.35) DRD2IDO1EPHX2OPRM1OPRK1
SCHEMBL6457624 0.89 IDO1 (0.33) DRD2IDO1

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