SCHEMBL8694589

SCHEMBL8694589

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNC(CCCc3ccc(NS(C)(=O)=O)cc3)C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.52

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
SCHEMBL8690027 0.94 GNRHR (0.54) GNRHR
SCHEMBL8689841 0.89 GNRHR (0.54) GNRHR
SCHEMBL8692401 0.88 GNRHR (0.56) GNRHR
SCHEMBL8694427 0.88 GNRHR (0.56) GNRHR
SCHEMBL7849092 0.87 GNRHR (0.60) GNRHR
SCHEMBL8691284 0.85
SCHEMBL8690234 0.85 GNRHR (0.55) GNRHR
SCHEMBL7912387 0.85 GNRHR (0.51) GNRHR
SCHEMBL7908416 0.84 GNRHR (0.69) GNRHR
SCHEMBL6974855 0.81 GNRHR (0.62) 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-5756507-A TREATING SEX HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-05-26 US disclosed