SCHEMBL6980604

SCHEMBL6980604

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3cccnc3)c2c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 0.82

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
SCHEMBL8697376 0.88 GNRHR (0.88) GNRHR
SCHEMBL6981337 0.86 GNRHR (1.00) GNRHR
Hydrochloric Acid SCHEMBL6983627 0.85 GNRHR (0.99) GNRHR
SCHEMBL7849092 0.85 GNRHR (0.60) GNRHR
SCHEMBL6978236 0.84 GNRHR (0.60) GNRHR
SCHEMBL7908416 0.84 GNRHR (0.69) GNRHR
SCHEMBL8145820 0.81 GNRHR (0.92) GNRHR
SCHEMBL8695273 0.80 GNRHR (1.00) GNRHR
SCHEMBL8569174 0.79 GNRHR (0.68) GNRHR
SCHEMBL6974855 0.78 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095038-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2003-09-03 EP disclosed
EP-0873336-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-03-27 EP disclosed
EP-1095038-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-05-02 EP disclosed
US-6200957-B1 USEFUL FOR TREATMENT OF VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. 2001-03-13 US disclosed
WO-2000004013-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-01-27 WO disclosed
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed
EP-0873336-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 1998-10-28 EP disclosed
US-5780437-A ADMINISTERING TO TREAT SEX-HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-07-14 US disclosed
WO-1997021704-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed