SCHEMBL6470905

SCHEMBL6470905

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 10/20 0.49
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
CTSD P07339 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6470980 0.91 TSHR (0.47) CXCR3LMNATSHRMAPK1ALDH1A1
SCHEMBL6471647 0.82 MEN1 (0.44) ALDH1A1
SCHEMBL6469945 0.81 HTR2A (0.45) ALDH1A1
SCHEMBL6470333 0.81 MEN1 (0.46) ALDH1A1
SCHEMBL6471940 0.79 MTNR1A (0.47) ALDH1A1
SCHEMBL9122701 0.78 LMNA (0.55) LMNAMAPK1ALDH1A1
SCHEMBL6472270 0.77 MEN1 (0.56)
SCHEMBL6517193 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL6470970 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6470101 0.75 TAAR1 (0.48) LMNATSHRMAPK1

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