SCHEMBL5840072

SCHEMBL5840072

CCNC(=O)C1(c2ccc(C)c(Cc3ccc(C(=O)Nc4c(OC)cc(OC)cc4OC)o3)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 14/20 0.65
FPR1 P21462 1/20 0.65
GPR183 P32249 1/20 0.65
GPR119 Q8TDV5 1/20 0.65
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4860057 0.79 GNRHR (0.66) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL208907 0.79 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL31060713 0.79 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL14395921 0.78 GNRHR (0.65) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5834658 0.77 GNRHR (0.82) GNRHRFPR1GPR183GPR119
SCHEMBL5835519 0.77 GNRHR (0.63) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5835109 0.76 GNRHR (0.81) GNRHRFPR1GPR183GPR119
SCHEMBL5835400 0.76 GNRHR (0.69) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5705276 0.75 GNRHR (0.71) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5266205 0.75 GNRHR (0.71) 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 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