SCHEMBL172253

SCHEMBL172253

COc1cccc(-c2c(C)n(Cc3c(C)cccc3F)c(=O)n(C[C@@H](C)N)c2=O)c1F

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.91
CYP3A4 P08684 1/20 0.73

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
SCHEMBL13995195 0.95 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL12727256 0.89 GNRHR (0.91) GNRHRCYP3A4
SCHEMBL25445032 0.89 GNRHR (0.80) GNRHRCYP3A4
SCHEMBL23595296 0.88 GNRHR (0.76) GNRHRCYP3A4
SCHEMBL128054 0.86 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL128053 0.86 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL5758034 0.84 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL30299007 0.84 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL5758037 0.84 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL5758028 0.84 GNRHR (1.00) GNRHRCYP3A4

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
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed