SCHEMBL6983762

SCHEMBL6983762

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(C(C)CNCCCCc3ccncc3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.78

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
SCHEMBL7905285 0.86 GNRHR (1.00) GNRHR
SCHEMBL6980634 0.81 GNRHR (0.56) GNRHR
SCHEMBL6975682 0.80 CACNA1B (0.52) GNRHR
SCHEMBL7515938 0.80 CACNA1B (0.52) GNRHR
SCHEMBL7512794 0.79 GNRHR (0.52) GNRHR
SCHEMBL7512785 0.79 GNRHR (0.52) GNRHR
SCHEMBL7980539 0.78 GNRHR (0.69) GNRHR
SCHEMBL7980537 0.78 GNRHR (0.69) GNRHR
SCHEMBL6980604 0.78 GNRHR (0.82) GNRHR
SCHEMBL1535425 0.77 GNRHR (1.00) 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