SCHEMBL5307659

SCHEMBL5307659

CCn1cc(CN2CCN(c3cccc4[nH]c(-c5ccc([S+](C)[O-])cc5)nc34)CC2)c(=O)[nH]c1=O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.77
HTR2A P28223 1/20 0.77

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
SCHEMBL3282263 0.88 GNRHR (0.78) GNRHRHTR2A
SCHEMBL3275511 0.87 GNRHR (1.00) GNRHRHTR2A
SCHEMBL3275280 0.87 GNRHR (0.79) GNRHRHTR2A
SCHEMBL12678462 0.85 GNRHR (0.77) GNRHRHTR2A
SCHEMBL3274373 0.83 GNRHR (0.76) GNRHRHTR2A
SCHEMBL3274255 0.81 GNRHR (0.88) GNRHRHTR2A
SCHEMBL3275375 0.79 GNRHR (0.85) GNRHRHTR2A
SCHEMBL5250467 0.79 GNRHR (0.76) GNRHRHTR2A
SCHEMBL3275851 0.79 GNRHR (0.84) GNRHRHTR2A
SCHEMBL3274221 0.78 GNRHR (0.84) GNRHRHTR2A

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 claimed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO claimed