SCHEMBL6976619

SCHEMBL6976619

Cc1cc(C)cc(-c2[nH]c3ccc(-c4noc(CC(C)C)n4)cc3c2CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.43
TLR7 Q9NYK1 5/20 0.43
TLR9 Q9NR96 4/20 0.43
GNRHR P30968 9/20 0.43

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
SCHEMBL6981295 0.81 TLR8 (0.47) TLR8TLR7TLR9GNRHR
SCHEMBL8141319 0.78 GNRHR (0.64) GNRHR
SCHEMBL8191104 0.78 PPARG (0.51) GNRHR
SCHEMBL8665668 0.78 GNRHR (0.45) GNRHR
SCHEMBL8697833 0.77 GNRHR (0.43) GNRHR
SCHEMBL8185257 0.76 GNRHR (0.49) GNRHR
SCHEMBL8695275 0.76 GNRHR (0.42) GNRHR
SCHEMBL6986887 0.76 GNRHR (0.51) GNRHR
SCHEMBL6982073 0.75 GNRHR (0.47) GNRHR
SCHEMBL6984508 0.75 GNRHR (0.49) 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