SCHEMBL6981337

SCHEMBL6981337

Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCNCCCCc2cccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 15/20 1.00

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
Hydrochloric Acid SCHEMBL6983627 0.99 GNRHR (0.99) GNRHR
SCHEMBL8145820 0.96 GNRHR (0.92) GNRHR
SCHEMBL6985296 0.91 GNRHR (1.00) GNRHR
SCHEMBL8184930 0.87 GNRHR (0.77) GNRHR
SCHEMBL8346371 0.86 GNRHR (0.76) GNRHR
SCHEMBL6980604 0.86 GNRHR (0.82) GNRHR
SCHEMBL8184838 0.86 GNRHR (0.82) GNRHR
SCHEMBL8697376 0.84 GNRHR (0.88) GNRHR
SCHEMBL6982908 0.83 GNRHR (0.71) GNRHR
SCHEMBL8182738 0.83 GNRHR (0.71) 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 5 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