SCHEMBL5038376

SCHEMBL5038376

CSc1nc(-c2cccc(OC(=O)OCc3ccccc3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 18/20 0.75
TSHR P16473 2/20 0.75
FSHR P23945 5/20 0.58

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
SCHEMBL5043515 0.92 LHCGR (0.82) LHCGRTSHRFSHR
SCHEMBL5034065 0.92 LHCGR (0.67) LHCGRTSHRFSHR
SCHEMBL4430406 0.90 LHCGR (0.58) LHCGRTSHRFSHR
SCHEMBL5037092 0.90 LHCGR (0.87) LHCGRTSHRFSHR
SCHEMBL4326072 0.86 LHCGR (1.00) LHCGRTSHRFSHR
SCHEMBL32156160 0.86 LHCGR (1.00) LHCGRTSHRFSHR
SCHEMBL4429897 0.86 LHCGR (0.80) LHCGRTSHRFSHR
SCHEMBL5140326 0.83 LHCGR (0.73) LHCGRTSHRFSHR
SCHEMBL4315364 0.83 LHCGR (1.00) LHCGRTSHRFSHR
SCHEMBL4421168 0.82 LHCGR (0.84) 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-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed