SCHEMBL6701771

SCHEMBL6701771

COC(=O)Cn1c(C(=O)NC2=NC(C)(c3cc(OC)c(Cl)cc3OC)C(SC3CCCCC3)S2)cc2cc(C)cc(C)c21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 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
SCHEMBL6704413 0.77 MAPT (0.31) HTTMAPTTSHR
SCHEMBL6702291 0.77
SCHEMBL6701763 0.75 TRPV4 (0.32) HTTMAPTTSHR
SCHEMBL6703807 0.72 PLTP (0.39) HTTMAPTTSHR
SCHEMBL6702286 0.71 MAPT (0.32) HTTMAPTTSHR
SCHEMBL6698972 0.71 TRPV4 (0.34) MAPTTSHR
SCHEMBL6700564 0.70
SCHEMBL6703571 0.67
SCHEMBL6703731 0.67 MAPT (0.34) HTTMAPT
SCHEMBL6704672 0.66 TSHR (0.30) TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed