SCHEMBL6977543

SCHEMBL6977543

Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCOCC4)cc3c2CCN(CCCCc2ccncc2)C(=O)OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.53

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 SCHEMBL6979576 0.88 GNRHR (0.60) GNRHR
SCHEMBL6982311 0.86 GNRHR (0.61) GNRHR
SCHEMBL7905685 0.82 KDM4E (0.48)
SCHEMBL6975952 0.82 GNRHR (0.76) GNRHR
SCHEMBL7543850 0.78 GNRHR (0.50) GNRHR
SCHEMBL8698127 0.77 GNRHR (0.63) GNRHR
SCHEMBL7899439 0.76 GNRHR (0.55) GNRHR
SCHEMBL7912498 0.76 GNRHR (0.48) GNRHR
SCHEMBL7905635 0.75 GNRHR (0.64) GNRHR
SCHEMBL6974859 0.75 GNRHR (0.61) 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