SCHEMBL6472196

SCHEMBL6472196

COc1cc(CN(CCc2ccc(F)cc2)C(N)=S)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.47
GLA P06280 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
SCHEMBL6470088 0.89 L3MBTL1 (0.52)
SCHEMBL6470101 0.88 TAAR1 (0.48) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29212717 0.83 ALOX5 (0.53)
SCHEMBL6470927 0.83 ALDH1A1 (0.46)
SCHEMBL6470337 0.82 TSHR (0.47) TAAR1TSHRMAPK1
SCHEMBL6470975 0.79 TAAR1 (0.43) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL6469881 0.78 MEN1 (0.50) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL6471145 0.76 TAAR1 (0.47) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL6470980 0.75 TSHR (0.47) TSHRMAPK1LMNA
SCHEMBL7717965 0.74 PTPN1 (0.62) DUSP3TAAR1TSHRMAPK1LMNA

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