SCHEMBL5308231

SCHEMBL5308231

CCc1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)cn1OC(C)=O

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.74
HTR2A P28223 1/20 0.60

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
SCHEMBL5302402 0.91 GNRHR (0.73) GNRHRHTR2A
SCHEMBL3276331 0.86 GNRHR (0.82) GNRHRHTR2A
SCHEMBL3282228 0.85 GNRHR (1.00) GNRHR
SCHEMBL3278582 0.85 GNRHR (1.00) GNRHRHTR2A
SCHEMBL3275887 0.85 GNRHR (0.81) GNRHRHTR2A
SCHEMBL3274303 0.80 GNRHR (1.00) GNRHRHTR2A
SCHEMBL3275124 0.79 GNRHR (0.80) GNRHRHTR2A
SCHEMBL3278586 0.79 GNRHR (1.00) GNRHR
SCHEMBL3274989 0.79 GNRHR (0.79) GNRHR
SCHEMBL3282538 0.79 GNRHR (1.00) GNRHR

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