SCHEMBL6458703

SCHEMBL6458703

CCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
GRM5 P41594 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL6458709 1.00 TRPV3 (0.32) TRPV3SLC6A2SLC6A4SLC6A3GRM5
SCHEMBL6452254 0.91 CYP2C9 (0.36) GRM5
SCHEMBL6452259 0.91 CYP2C9 (0.36) GRM5
SCHEMBL6453256 0.90 SLC6A2 (0.32) TRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL6453262 0.90 SLC6A2 (0.32) TRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL6456344 0.89 RAB9A (0.32)
SCHEMBL6456338 0.89 RAB9A (0.32)
SCHEMBL6454998 0.88 RAB9A (0.31)
SCHEMBL6454996 0.88 RAB9A (0.31)
SCHEMBL6452319 0.87 SLC6A2 (0.37) TRPV3SLC6A2SLC6A4SLC6A3GRM5

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