SCHEMBL6456816

SCHEMBL6456816

CCC[C@H]1CC[C@H]([C@@H]2CC[C@@H]3C[C@H](c4ccc(OC)cc4)CC[C@@H]3C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
CYP2C9 P11712 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
RAB9A P51151 1/20 0.37
TLR4 O00206 1/20 0.37
HTR2C P28335 1/20 0.36
GRIN2B Q13224 1/20 0.35

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
SCHEMBL6456822 1.00 DRD2 (0.46) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL6463704 0.93 DRD2 (0.47) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL6456394 0.93 DRD2 (0.47) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL6456399 0.93 DRD2 (0.47) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL7903735 0.91 DRD2 (0.54) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL8045462 0.91 DRD2 (0.54) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL8045452 0.91 DRD2 (0.54) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL6459912 0.89 DRD2 (0.44) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL6459916 0.89 DRD2 (0.44) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL5351735 0.87 DRD2 (0.58) DRD2CYP2C9MAPTALDH1A1LMNA

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