SCHEMBL6451760

SCHEMBL6451760

CCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
RAB9A P51151 1/20 0.38
GRM2 Q14416 1/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGLL Q99685 5/20 0.34
DGAT1 O75907 1/20 0.34

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
SCHEMBL6451766 1.00 DRD2 (0.40) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6452718 1.00 DRD2 (0.40) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6452716 1.00 DRD2 (0.40) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6453984 0.99 DRD2 (0.41) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6453980 0.99 DRD2 (0.41) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6460913 0.96 DRD2 (0.43) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6460916 0.96 DRD2 (0.43) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6452106 0.96 DRD2 (0.43) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6452110 0.96 DRD2 (0.43) DRD2RAB9AGRM2GAAMAPT
SCHEMBL6462873 0.95 DRD2 (0.42) DRD2RAB9AMEN1ALDH1A1MAPK1

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