SCHEMBL4621730

SCHEMBL4621730

COc1nc(NCCNC(C)(C)C)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1.COc1nc(NCCNC(C)C)nc(OC)c1NC(=O)c1csc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.31

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
SCHEMBL4621529 0.92 GNRHR (0.31) GNRHR
SCHEMBL4228389 0.91 GNRHR (0.35) GNRHR
SCHEMBL4236499 0.90 GNRHR (0.37) GNRHR
SCHEMBL4233369 0.89 GNRHR (0.36) GNRHR
SCHEMBL4236694 0.88 GNRHR (0.38) GNRHR
SCHEMBL4620458 0.87 GNRHR (0.37) GNRHR
SCHEMBL4237186 0.86 GNRHR (0.35) GNRHR
SCHEMBL4237638 0.86 GNRHR (0.34) GNRHR
SCHEMBL4621356 0.84 CYP1A2 (0.33) GNRHR
SCHEMBL4233283 0.84 GNRHR (0.32) 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-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO disclosed