SCHEMBL5834344

SCHEMBL5834344

COc1cc(OC)c(NC(=O)c2ccc(C(O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 7/20 0.66
▸ FPR1 P21462 1/20 0.66
▸ GPR183 P32249 1/20 0.66
▸ GPR119 Q8TDV5 1/20 0.66
▸ S1PR4 O95977 3/20 0.40
▸ S1PR2 O95136 1/20 0.39
▸ CYP26A1 O43174 3/20 0.38
▸ CYP26B1 Q9NR63 3/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ RXRA P19793 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL6193122 0.82 GNRHR (0.70) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6638649 0.79 GNRHR (0.63) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6667308 0.79 GNRHR (0.68) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL208907 0.79 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL31060713 0.79 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL6672165 0.77 GNRHR (0.62) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6667334 0.76 GNRHR (0.61) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6640103 0.76 GNRHR (0.61) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6641037 0.75 GNRHR (0.62) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6669367 0.75 GNRHR (0.60) 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 2 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
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