SCHEMBL6453069

SCHEMBL6453069

CCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.38
APP P05067 2/20 0.36
CYP2C19 P33261 1/20 0.36
DRD2 P14416 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CCR2 P41597 5/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CYP2C9 P11712 2/20 0.32
MTOR P42345 1/20 0.32
SYK P43405 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6453071 1.00 FASN (0.38) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6461024 0.94 FASN (0.37) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6461021 0.94 FASN (0.37) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6452792 0.93 FASN (0.37) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6452801 0.93 FASN (0.37) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6456775 0.92 FASN (0.36) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6459242 0.92 FASN (0.36) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6459246 0.92 FASN (0.36) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6456778 0.92 FASN (0.36) FASNAPPCYP2C19DRD2SLC6A2
SCHEMBL6453498 0.91 APP (0.37) FASNAPPCYP2C19DRD2SLC6A2

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