SCHEMBL5834658

SCHEMBL5834658

COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)CCCC4(C)C)o2)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.82
FPR1 P21462 1/20 0.82
GPR183 P32249 1/20 0.82
GPR119 Q8TDV5 1/20 0.82

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
SCHEMBL16254098 0.92 GNRHR (0.70) GNRHRFPR1GPR183GPR119
SCHEMBL16238424 0.92 GNRHR (0.70) GNRHRFPR1GPR183GPR119
SCHEMBL17549863 0.91 GNRHR (0.71) GNRHRFPR1GPR183GPR119
SCHEMBL16238189 0.91 GNRHR (0.69) GNRHRFPR1GPR183GPR119
SCHEMBL17552135 0.91 GNRHR (0.68) GNRHRFPR1GPR183GPR119
SCHEMBL31060713 0.90 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL208907 0.90 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL16238192 0.89 GNRHR (0.66) GNRHRFPR1GPR183GPR119
SCHEMBL16254097 0.89 GNRHR (0.65) GNRHRFPR1GPR183GPR119
SCHEMBL16238086 0.89 GNRHR (0.65) GNRHRFPR1GPR183GPR119

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
US-7101878-B1 Non-peptide GNRH agents, methods and intermediates for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2006-09-05 US disclosed
EP-1105120-B1 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMA (US) 2005-03-23 EP disclosed
EP-1105120-A4 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMA (US) 2001-12-19 EP disclosed
EP-1105120-A2 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 2001-06-13 EP disclosed
WO-2000020358-A2 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed