SCHEMBL6669991

SCHEMBL6669991

COc1cc(OC)c(NC(=O)c2ccc(Oc3cc(C(C)(C)C)c(C)cc3C)o2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.48
FPR1 P21462 1/20 0.48
GPR183 P32249 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
S1PR4 O95977 8/20 0.42
S1PR2 O95136 3/20 0.41
S1PR5 Q9H228 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
DRD1 P21728 2/20 0.38
HTR2A P28223 2/20 0.38
OPRM1 P35372 2/20 0.38
HTR1A P08908 1/20 0.38
CNR1 P21554 1/20 0.38
ADORA2A P29274 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
S1PR3 Q99500 2/20 0.37

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
SCHEMBL6669190 0.89 GNRHR (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6645028 0.86 FPR1 (0.48) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6673483 0.85 FPR1 (0.43) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL4863039 0.84 GNRHR (0.50) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6638236 0.83 FPR1 (0.49) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6642699 0.82 GNRHR (0.48) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6666665 0.81 FPR1 (0.46) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6667029 0.81 GNRHR (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6639154 0.81 GNRHR (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL4862095 0.80 GNRHR (0.48) GNRHRFPR1GPR183GPR119S1PR4

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-1401427-A4 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMA (US) 2004-12-01 EP disclosed
EP-1401427-A2 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM Agouron Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
WO-2002098363-A2 NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed