SCHEMBL6451703

SCHEMBL6451703

CCC[C@@H]1CC[C@@H]2CC(c3ccc4cc(F)ccc4c3)CCC2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.49
SLC6A2 P23975 10/20 0.49
SLC6A3 Q01959 10/20 0.49
CYP2C9 P11712 1/20 0.36
DRD2 P14416 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRL1 P41146 2/20 0.32

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
SCHEMBL6451708 1.00 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3CYP2C9DRD2
SCHEMBL6456955 0.94 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2C9DRD2
SCHEMBL6456952 0.94 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2C9DRD2
SCHEMBL6458154 0.93 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458158 0.93 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6459581 0.91 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6459574 0.91 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6464075 0.90 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458885 0.90 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458889 0.90 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT

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