SCHEMBL6453036

SCHEMBL6453036

CCCCCC1CCC2CC(c3cc(F)c4cc(C(F)(F)F)ccc4c3)CCC2C1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
LSS P48449 2/20 0.31
IDO1 P14902 1/20 0.31
P2RY14 Q15391 1/20 0.31
EPHX2 P34913 1/20 0.31
MCHR1 Q99705 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL6453031 1.00 DRD2 (0.32) DRD2GAAMAPTLSSIDO1
SCHEMBL6458915 0.99 GAA (0.33) DRD2GAAMAPTLSSIDO1
SCHEMBL6458923 0.99 GAA (0.33) DRD2GAAMAPTLSSIDO1
SCHEMBL6455896 0.99 GAA (0.33) DRD2GAAMAPTLSSIDO1
SCHEMBL6455901 0.99 GAA (0.33) DRD2GAAMAPTLSSIDO1
SCHEMBL6451465 0.97 DRD2 (0.33) DRD2IDO1EPHX2OPRM1OPRK1
SCHEMBL6451469 0.97 DRD2 (0.33) DRD2IDO1EPHX2OPRM1OPRK1
SCHEMBL6459954 0.93 OPRM1 (0.35) DRD2MAPTIDO1EPHX2CNR1
SCHEMBL6459949 0.93 OPRM1 (0.35) DRD2MAPTIDO1EPHX2CNR1
SCHEMBL6457624 0.89 IDO1 (0.33) DRD2IDO1CNR1CNR2

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