SCHEMBL6222639

SCHEMBL6222639

COC(=O)[C@H](NCC(=O)Nc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 18/20 0.65
TSHR P16473 2/20 0.65
FSHR P23945 5/20 0.63

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
SCHEMBL6222413 0.91 LHCGR (0.50) LHCGRTSHRFSHR
SCHEMBL6222712 0.88 LHCGR (0.69) LHCGRTSHRFSHR
SCHEMBL6221420 0.86 LHCGR (0.69) LHCGRTSHRFSHR
SCHEMBL14285229 0.85 LHCGR (0.73) LHCGRTSHRFSHR
SCHEMBL5028843 0.84 LHCGR (0.72) LHCGRTSHRFSHR
SCHEMBL4425902 0.84 LHCGR (0.78) LHCGRTSHRFSHR
SCHEMBL6222004 0.84 LHCGR (0.68) LHCGRTSHRFSHR
SCHEMBL4425858 0.83 LHCGR (0.71) LHCGRTSHRFSHR
SCHEMBL6221749 0.83 LHCGR (0.67) LHCGRTSHRFSHR
SCHEMBL6225680 0.82 LHCGR (0.67) LHCGRTSHRFSHR

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
EP-1427734-B1 GLYCINE-SUBSTITUTED THIENO[2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL NV (NL) 2005-11-09 EP claimed