SCHEMBL8079137

SCHEMBL8079137

Cc1cc(C)cc(-c2c(C(C)CNCCCCc3ccncc3)c3cc(C(C)(C)C(=O)N(CC(C)C)CC(C)C)cnc3n2C(=O)OC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.61

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
SCHEMBL7980694 0.88 GNRHR (0.63) GNRHR
SCHEMBL7980696 0.88 GNRHR (0.63) GNRHR
SCHEMBL8521671 0.87 GNRHR (0.46) GNRHR
SCHEMBL8521676 0.87 GNRHR (0.46) GNRHR
SCHEMBL8012567 0.83 CACNA1B (0.46) GNRHR
SCHEMBL8012565 0.83 CACNA1B (0.46) GNRHR
SCHEMBL8023220 0.83 CACNA1B (0.54) GNRHR
SCHEMBL8023225 0.83 CACNA1B (0.54) GNRHR
SCHEMBL8088014 0.81 GNRHR (0.80) GNRHR
SCHEMBL8088012 0.81 GNRHR (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6077847-A ADMINISTERING A SUBSTITUTED INDOLE COMPOUND TO THE PATIENTS FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. (US) 2000-06-20 US disclosed