SCHEMBL6667029

SCHEMBL6667029

COc1cc(OC)c(NC(=O)c2ccc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3C)o2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.47
FPR1 P21462 1/20 0.47
GPR183 P32249 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
S1PR4 O95977 5/20 0.42
MDH1 P40925 3/20 0.40
MDH2 P40926 3/20 0.40
S1PR2 O95136 3/20 0.39
S1PR5 Q9H228 2/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACAT1 P24752 1/20 0.36
SOAT1 P35610 1/20 0.36
ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL6666402 0.91 S1PR4 (0.44) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL4861853 0.90 GNRHR (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6669190 0.88 GNRHR (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6639154 0.85 GNRHR (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL4862829 0.83 GNRHR (0.46) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL4852148 0.83 GNRHR (0.46) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6645028 0.82 FPR1 (0.48) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL4863755 0.81 GNRHR (0.48) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6669991 0.81 GNRHR (0.48) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL14395680 0.80 GNRHR (0.47) 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