SCHEMBL13359293

SCHEMBL13359293

CC(C)(C)c1ccc(-c2nc3c(N4CCN(C(=O)CC5CCCC5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 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
SCHEMBL13324606 0.81 GNRHR (0.65) GNRHR
SCHEMBL3283815 0.80 GNRHR (0.61) GNRHR
SCHEMBL13384544 0.78 GNRHR (0.79) GNRHR
SCHEMBL13384155 0.77 GNRHR (0.70) GNRHR
SCHEMBL3274724 0.76 GNRHR (0.70) GNRHR
SCHEMBL3278510 0.76 GNRHR (0.75) GNRHR
SCHEMBL3281139 0.76 GNRHR (0.68) GNRHR
SCHEMBL3274962 0.76 GNRHR (0.71) GNRHR
SCHEMBL13384638 0.75 GNRHR (0.70) GNRHR
SCHEMBL3277015 0.75 GNRHR (0.68) 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-7714130-B2 Processes for preparing gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-05-11 US disclosed