SCHEMBL6983848

SCHEMBL6983848

CCCCC(CCC)Cc1cccn1-c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3cccnc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 10/20 0.57

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
SCHEMBL6984830 0.86 GNRHR (0.43) GNRHR
SCHEMBL7084005 0.86 GNRHR (0.41) GNRHR
SCHEMBL6983842 0.77 GNRHR (0.60) GNRHR
SCHEMBL6983847 0.77 GNRHR (0.60) GNRHR
SCHEMBL7905321 0.76 GNRHR (0.65) GNRHR
SCHEMBL6982756 0.74 HDAC1 (0.41) GNRHR
SCHEMBL8697376 0.72 GNRHR (0.88) GNRHR
SCHEMBL6976870 0.71 GNRHR (0.65) GNRHR
SCHEMBL6980604 0.70 GNRHR (0.82) GNRHR
SCHEMBL8694469 0.70 GNRHR (0.52) 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 3 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