SCHEMBL5250467

SCHEMBL5250467

C[S+]([O-])c1ccc(-c2nc3c(N4CCN(Cc5ccc6[nH]c(=O)c(=O)[nH]c6c5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.76
TACR2 P21452 1/20 0.55
HRH2 P25021 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HTR2A P28223 1/20 0.49

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
SCHEMBL3276312 0.89 GNRHR (0.82) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3278718 0.87 GNRHR (0.77) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274218 0.86 GNRHR (0.76) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275214 0.86 GNRHR (1.00) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275932 0.86 GNRHR (0.78) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5307659 0.79 GNRHR (0.77) GNRHRHTR2A
SCHEMBL3282272 0.77 GNRHR (0.84) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3279451 0.77 GNRHR (0.73) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274286 0.77 GNRHR (0.78) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274234 0.77 GNRHR (0.70) GNRHRTACR2HRH2OPRM1OPRD1

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
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO disclosed