SCHEMBL7084004

SCHEMBL7084004

CCCCN1N=NNN1c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCc3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 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
SCHEMBL6982755 0.79 HDAC1 (0.42) GNRHR
SCHEMBL6984825 0.79 GNRHR (0.45) GNRHR
SCHEMBL7084005 0.74 GNRHR (0.41) GNRHR
SCHEMBL6983842 0.74 GNRHR (0.60) GNRHR
SCHEMBL6978088 0.71 POLB (0.53) GNRHR
SCHEMBL6980844 0.67 GNRHR (0.45) GNRHR
SCHEMBL6982758 0.67 HDAC1 (0.42) GNRHR
SCHEMBL7905321 0.64 GNRHR (0.65) GNRHR
SCHEMBL7912503 0.61 GNRHR (0.72) GNRHR
SCHEMBL8002899 0.61 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
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
EP-0873336-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 1998-10-28 EP disclosed
WO-1997021704-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed