SCHEMBL4622604

SCHEMBL4622604

COc1ccc(C(C)(C)C)cc1O.COc1ccc(C(C)(C)C)cc1Oc1nc(C(=O)Nc2c(OC)nc(NCCN(C(=O)O)C(C)C)nc2OC)cs1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
ABCB1 P08183 1/20 0.30

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
SCHEMBL4237673 0.96 ACHE (0.33) ACHEABCB1
SCHEMBL4233113 0.91 ACHE (0.32) ACHEABCB1
SCHEMBL4622593 0.91 ACHE (0.33) ACHEABCB1
SCHEMBL4235778 0.90 ABCB1 (0.35) ACHEABCB1
SCHEMBL4240309 0.90 ACHE (0.31) ACHE
SCHEMBL4233310 0.88 CACNA1H (0.30) ACHE
SCHEMBL4237858 0.84 MEN1 (0.35) ABCB1
SCHEMBL4236151 0.84 P2RY1 (0.32) ACHE
SCHEMBL4237713 0.83 ABCB1 (0.33) ACHEABCB1
SCHEMBL4238561 0.81 ABCB1 (0.32) ABCB1

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