SCHEMBL6669734

SCHEMBL6669734

COc1cc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)CCC4(C)C)o2)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 2/20 0.58
▸ ADORA3 P0DMS8 2/20 0.58
▸ DRD1 P21728 2/20 0.58
▸ HTR2A P28223 2/20 0.58
▸ OPRM1 P35372 2/20 0.58
▸ CACNA1F O60840 1/20 0.58
▸ CHRM4 P08173 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ DRD4 P21917 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ HRH2 P25021 1/20 0.58
▸ TACR1 P25103 1/20 0.58
▸ PTAFR P25105 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ AGTR1 P30556 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ HTR7 P34969 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ OPRK1 P41145 1/20 0.58

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
SCHEMBL6668099 0.93 GNRHR (0.54) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL16254117 0.92 GNRHR (0.57) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL16254099 0.91 GNRHR (0.55) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL16254094 0.90 GNRHR (0.55) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL17549864 0.90 GNRHR (0.56) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL17552136 0.89 GNRHR (0.56) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL16238821 0.88 GNRHR (0.53) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL6672165 0.88 GNRHR (0.62) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL16254115 0.87 GNRHR (0.59) GNRHRADORA3DRD1HTR2AOPRM1
SCHEMBL16238298 0.87 GNRHR (0.52) GNRHRADORA3DRD1HTR2AOPRM1

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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