SCHEMBL6643596

SCHEMBL6643596

COc1cc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)OCCC4(C)C)o2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 2/20 0.56
▸ FPR1 P21462 1/20 0.56
▸ GPR183 P32249 1/20 0.56
▸ GPR119 Q8TDV5 1/20 0.56
▸ ADORA3 P0DMS8 2/20 0.47
▸ DRD1 P21728 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ CACNA1F O60840 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HRH2 P25021 1/20 0.47
▸ TACR1 P25103 1/20 0.47
▸ PTAFR P25105 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47

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
SCHEMBL6641710 0.92 GNRHR (0.47) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL6672165 0.87 GNRHR (0.62) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL6669734 0.86 GNRHR (0.58) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL6641134 0.85 GNRHR (0.55) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL6673229 0.84 GNRHR (0.57) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL5835109 0.84 GNRHR (0.81) GNRHRFPR1GPR183GPR119
SCHEMBL6671501 0.84 GNRHR (0.55) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL6641037 0.82 GNRHR (0.62) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL6265600 0.82 RARB (0.45) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL6669367 0.81 GNRHR (0.60) GNRHRFPR1GPR183GPR119ADORA3

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
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