SCHEMBL6667308

SCHEMBL6667308

COc1cc(OC)c(NC(=O)c2ccc(Sc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 10/20 0.68
▸ FPR1 P21462 1/20 0.68
▸ GPR183 P32249 1/20 0.68
▸ GPR119 Q8TDV5 1/20 0.68
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ RXRG P48443 2/20 0.41
▸ S1PR4 O95977 2/20 0.40
▸ PTPN11 Q06124 2/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ CYP26A1 O43174 1/20 0.38
▸ CYP26B1 Q9NR63 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 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) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL31060713 0.81 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL208907 0.81 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL6665720 0.81 FPR1 (0.49) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5834344 0.79 GNRHR (0.66) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6683442 0.79 FPR1 (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6638649 0.77 GNRHR (0.63) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6672165 0.77 GNRHR (0.62) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6667334 0.76 GNRHR (0.61) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6640103 0.76 GNRHR (0.61) GNRHRFPR1GPR183GPR119RXRA

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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