SCHEMBL8698221

SCHEMBL8698221

CCOC(=O)c1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3)c(CC(NCCCCc3cccnc3)C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 12/20 0.52
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL8697414 0.92 GNRHR (0.52) GNRHRTLR7
SCHEMBL8569174 0.85 GNRHR (0.68) GNRHR
SCHEMBL8567395 0.84 GNRHR (0.50) GNRHR
SCHEMBL8698218 0.83 GNRHR (0.51) GNRHR
SCHEMBL8698131 0.77 GNRHR (0.57) GNRHR
SCHEMBL8697411 0.75 GNRHR (0.51) GNRHRTLR7
SCHEMBL8697413 0.75 GNRHR (0.49) GNRHR
SCHEMBL8700376 0.74 GNRHR (0.84) GNRHR
SCHEMBL8697321 0.69 KDM4E (0.53)
SCHEMBL8694008 0.69 GNRHR (0.52) GNRHR

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-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed