SCHEMBL5509964

SCHEMBL5509964

CC(C)(C)c1ccc(-c2nc3c(N4CCN(CCOc5ccc(NC(=O)N6CCN(C(=O)O)CC6)cc5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.58
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
SCHEMBL5508527 0.95 GNRHR (0.58) GNRHR
SCHEMBL5504664 0.94 GNRHR (0.58) GNRHRHTR2A
SCHEMBL5503923 0.94 GNRHR (0.59) GNRHR
SCHEMBL6001555 0.94 GNRHR (0.59) GNRHR
SCHEMBL5514789 0.94 GNRHR (0.58) GNRHR
SCHEMBL5509844 0.94 GNRHR (0.58) GNRHR
SCHEMBL6001604 0.92 GNRHR (0.56) GNRHR
SCHEMBL5505915 0.92 GNRHR (0.57) GNRHRHTR2A
SCHEMBL5508491 0.92 GNRHR (0.56) GNRHRHTR2A
SCHEMBL5528152 0.91 GNRHR (0.56) 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-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP disclosed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO disclosed