SCHEMBL6667761

SCHEMBL6667761

COc1nc(NCCN(C)C)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 9/20 0.74
▸ HTR2A P28223 2/20 0.74
▸ CACNA1F O60840 1/20 0.74
▸ CHRM4 P08173 1/20 0.74
▸ ADORA3 P0DMS8 1/20 0.74
▸ CHRM1 P11229 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ DRD1 P21728 1/20 0.74
▸ DRD4 P21917 1/20 0.74
▸ SLC6A2 P23975 1/20 0.74
▸ HRH2 P25021 1/20 0.74
▸ TACR1 P25103 1/20 0.74
▸ PTAFR P25105 1/20 0.74
▸ HTR2C P28335 1/20 0.74
▸ AGTR1 P30556 1/20 0.74
▸ SLC6A4 P31645 1/20 0.74
▸ HTR7 P34969 1/20 0.74
▸ OPRM1 P35372 1/20 0.74
▸ DRD3 P35462 1/20 0.74
▸ OPRK1 P41145 1/20 0.74

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
SCHEMBL6671595 0.91 GNRHR (0.71) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL30119773 0.90 GNRHR (0.73) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL6670530 0.89 GNRHR (0.67) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL24782128 0.88 GNRHR (0.70) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL6667566 0.87 GNRHR (0.93) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL6663991 0.86 GNRHR (0.90) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL30119795 0.86 GNRHR (0.80) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL6670601 0.86 GNRHR (0.89) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL6667142 0.86 GNRHR (0.68) GNRHRHTR2ACACNA1FCHRM4ADORA3
SCHEMBL6668493 0.85 GNRHR (1.00) GNRHRHTR2ACACNA1FCHRM4ADORA3

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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