SCHEMBL6704413

SCHEMBL6704413

CCC1(c2cc(OC)c(Cl)cc2OC)N=C(NC(=O)c2cc3cc(C)cc(C)c3n2CC(=O)O)SC1C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.30
POLB P06746 1/20 0.30
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 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
SCHEMBL6702291 0.78
SCHEMBL6701771 0.77 HTT (0.31) MAPTTSHRHTT
SCHEMBL6703661 0.73 MEN1 (0.32) MAPTHTT
SCHEMBL7092958 0.72 PDE4A (0.34) MAPT
SCHEMBL29403637 0.72 TRPV4 (0.36) MAPT
SCHEMBL6704409 0.72 MAPT (0.32) MAPTTSHRHTT
SCHEMBL1008694 0.72 TRPV4 (0.36) MAPT
SCHEMBL6700564 0.71
Diethylamine SCHEMBL7031731 0.71 TRPV4 (0.34) MAPTTSHR
SCHEMBL28751612 0.70 ALDH1A1 (0.34) MAPTHTTPOLB

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 3 patents. 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
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed