SCHEMBL13403167

SCHEMBL13403167

CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cccc(N=O)c5N)CC4)cccc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.70
HTR2A P28223 1/20 0.64

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
SCHEMBL3276071 0.89 GNRHR (0.72) GNRHRHTR2A
SCHEMBL3274228 0.86 GNRHR (0.67) GNRHRHTR2A
SCHEMBL3281288 0.84 GNRHR (0.75) GNRHRHTR2A
SCHEMBL3275412 0.82 GNRHR (1.00) GNRHRHTR2A
SCHEMBL13403223 0.82 GNRHR (0.71) GNRHR
SCHEMBL3275722 0.81 GNRHR (1.00) GNRHRHTR2A
SCHEMBL3274309 0.81 GNRHR (1.00) GNRHRHTR2A
SCHEMBL13384544 0.80 GNRHR (0.79) GNRHRHTR2A
SCHEMBL3274469 0.80 GNRHR (1.00) GNRHRHTR2A
SCHEMBL3279181 0.80 GNRHR (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed