SCHEMBL8698486

SCHEMBL8698486

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(C(C)(C)NCC(CCc3ccncc3)C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 17/20 0.44

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
SCHEMBL8698450 0.94 GNRHR (0.45) GNRHR
SCHEMBL8698494 0.82 GNRHR (0.47) GNRHR
SCHEMBL6980634 0.75 GNRHR (0.56) GNRHR
SCHEMBL8698465 0.74 GNRHR (0.52) GNRHR
SCHEMBL7849092 0.73 GNRHR (0.60) GNRHR
SCHEMBL6983762 0.72 GNRHR (0.78) GNRHR
SCHEMBL8694589 0.69 GNRHR (0.52) GNRHR
SCHEMBL6978236 0.69 GNRHR (0.60) GNRHR
SCHEMBL6974592 0.68 GNRHR (0.58) GNRHR
SCHEMBL8692386 0.68 GNRHR (0.44) 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-5780437-A ADMINISTERING TO TREAT SEX-HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-07-14 US disclosed