SCHEMBL6470337

SCHEMBL6470337

COc1cc(CN(CCCc2ccc(Cl)cc2)C(N)=S)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL6470101 0.94 TAAR1 (0.48) TSHRMAPK1TAAR1
SCHEMBL29212717 0.89 ALOX5 (0.53)
SCHEMBL6469881 0.89 MEN1 (0.50) TSHRMAPK1TAAR1
SCHEMBL6470975 0.84 TAAR1 (0.43) TSHRMAPK1TAAR1
SCHEMBL6470088 0.83 L3MBTL1 (0.52)
SCHEMBL6472196 0.82 DUSP3 (0.48) TSHRMAPK1TAAR1
SCHEMBL6469945 0.79 HTR2A (0.45)
SCHEMBL6471647 0.78 MEN1 (0.44)
SCHEMBL6470333 0.77 MEN1 (0.46)
SCHEMBL6470093 0.75 MMP9 (0.46) TSHRMAPK1TAAR1

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