SCHEMBL6453984

SCHEMBL6453984

CCCCCC1CCC2CC(c3ccc(-c4ccc(OC)cc4)cc3)CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM2 Q14416 1/20 0.35
DGAT1 O75907 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ADRA1A P35348 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 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
SCHEMBL6453980 1.00 DRD2 (0.41) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6452716 0.99 DRD2 (0.40) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6452718 0.99 DRD2 (0.40) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6451760 0.99 DRD2 (0.40) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6451766 0.99 DRD2 (0.40) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6462873 0.96 DRD2 (0.42) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6462871 0.96 DRD2 (0.42) DRD2RAB9AMEN1ALDH1A1MAPK1
SCHEMBL6464445 0.96 DRD2 (0.44) DRD2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6464450 0.96 DRD2 (0.44) DRD2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6452106 0.95 DRD2 (0.43) DRD2RAB9AGRM2SLC6A2SLC6A4

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