SCHEMBL6981977

SCHEMBL6981977

Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)c4nc(C)c[nH]4)cc3c2CCN)c1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 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
SCHEMBL6983295 0.85 GNRHR (0.49) GNRHR
SCHEMBL6980627 0.81 GNRHR (0.47) GNRHR
SCHEMBL7905294 0.81 GNRHR (0.68) GNRHR
SCHEMBL8191312 0.80 GNRHR (0.60) GNRHR
SCHEMBL6976457 0.76 GNRHR (0.49) GNRHR
SCHEMBL14006550 0.73 GNRHR (0.65) GNRHR
SCHEMBL7912408 0.73 CYP1A2 (0.66) GNRHR
SCHEMBL8569672 0.73 GNRHR (0.66) GNRHR
SCHEMBL7995810 0.72 GNRHR (0.54) GNRHR
SCHEMBL6981043 0.71 GNRHR (0.66) 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 6 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
US-6156767-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-05 US disclosed
WO-2000004013-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-01-27 WO disclosed