SCHEMBL6460229

SCHEMBL6460229

CC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.34
ESR2 Q92731 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FFAR1 O14842 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
SCHEMBL6460233 1.00 GRM5 (0.34) GRM5ESR2HRH3FFAR1
SCHEMBL6456343 0.90 ESR2 (0.36) ESR2FFAR1
SCHEMBL6456347 0.90 ESR2 (0.36) ESR2FFAR1
SCHEMBL6454022 0.86 ESR2 (0.37) GRM5ESR2HRH3FFAR1
SCHEMBL6454025 0.86 ESR2 (0.37) GRM5ESR2HRH3FFAR1
SCHEMBL10527807 0.86 ESR2 (0.46) GRM5ESR2HRH3FFAR1
SCHEMBL2741540 0.84 HTR2A (0.37) ESR2HRH3
SCHEMBL6458703 0.84 TRPV3 (0.32) GRM5FFAR1
SCHEMBL6458709 0.84 TRPV3 (0.32) GRM5FFAR1
SCHEMBL6453206 0.83 KCNH2 (0.37) ESR2HRH3FFAR1

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