SCHEMBL6463690

SCHEMBL6463690

CCC1CCC2C[C@H](c3cc4ccc(OC)c(F)c4c(F)c3F)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33

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
SCHEMBL6463692 1.00 HTR2A (0.33) HTR2A
SCHEMBL6457254 0.91 ALDH1A1 (0.33) HTR2A
SCHEMBL6457259 0.91 ALDH1A1 (0.33) HTR2A
SCHEMBL6451299 0.89 DPP4 (0.32) HTR2A
SCHEMBL6451303 0.89 DPP4 (0.32) HTR2A
SCHEMBL6459153 0.89 CNR2 (0.32) HTR2A
SCHEMBL6459147 0.89 CNR2 (0.32) HTR2A
SCHEMBL12018648 0.88 HTR2A (0.34) HTR2A
SCHEMBL6452422 0.88 CNR2 (0.32) HTR2A
SCHEMBL6458970 0.88 CNR2 (0.32) HTR2A

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