SCHEMBL6470980

SCHEMBL6470980

COc1cc(CN(CCc2ccc(F)cc2)C(N)=S)ccc1OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CXCR3 P49682 3/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL6470905 0.91 CXCR3 (0.49) TSHRLMNAMAPK1ALDH1A1CXCR3
SCHEMBL6470927 0.82 ALDH1A1 (0.46) ALDH1A1TRPM8
SCHEMBL6472270 0.77 MEN1 (0.56) TRPM8
SCHEMBL9633041 0.77 RAB9A (0.60) TSHRLMNAMAPK1ALDH1A1NPC1
SCHEMBL6472196 0.75 DUSP3 (0.48) TSHRLMNAMAPK1
SCHEMBL8816740 0.75 TSHR (0.56) TSHRLMNAMAPK1ALDH1A1NPC1
SCHEMBL9631943 0.75 RAB9A (0.60) TSHRLMNAMAPK1ALDH1A1NPC1
SCHEMBL30960133 0.73 TSHR (0.75) TSHRMAPK1ALDH1A1NPC1RAB9A
SCHEMBL29227699 0.73 TSHR (0.75) TSHRMAPK1ALDH1A1NPC1RAB9A
SCHEMBL6471647 0.73 MEN1 (0.44) ALDH1A1

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-20050031717-A1 Using capsaicin receptors; complexing VIRGINIA COMMONWEALTH UNIVERSITY 2005-02-10 US disclosed
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 WO disclosed