SCHEMBL6462871

SCHEMBL6462871

CCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DGAT1 O75907 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ADRA1A P35348 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL6462873 1.00 DRD2 (0.42) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6453984 0.96 DRD2 (0.41) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6453980 0.96 DRD2 (0.41) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6455583 0.96 DRD2 (0.45) DRD2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6455586 0.96 DRD2 (0.45) DRD2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6451766 0.95 DRD2 (0.40) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6451760 0.95 DRD2 (0.40) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6452718 0.95 DRD2 (0.40) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6452716 0.95 DRD2 (0.40) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6459912 0.92 DRD2 (0.44) 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