SCHEMBL4745681

SCHEMBL4745681

COc1ccc(-c2coc3cc(OCCCCCN4CCN(C(C(=O)NC(C)C)C(C(=O)NC(C)C)N5CCN(CCCCCOc6ccc7c(-c8ccc(C(F)(F)F)cc8)coc7c6)CC5)CC4)ccc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41

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
SCHEMBL4745752 0.84 HRH3 (0.52) HRH3PDK1PDK2
SCHEMBL4744489 0.84 HRH3 (0.53) HRH3PDK1PDK2
SCHEMBL4744483 0.84 HRH3 (0.51) HRH3PDK1PDK2
SCHEMBL4744042 0.80 HRH3 (0.45) HRH3PDK1PDK2
SCHEMBL4746425 0.78 HRH3 (0.63) HRH3PDK1PDK2
SCHEMBL4745586 0.77 HRH3 (0.51) HRH3PDK1PDK2
SCHEMBL4744415 0.76 HRH3 (0.42) HRH3
SCHEMBL4742548 0.75 HRH3 (0.53) HRH3PDK1PDK2
SCHEMBL4745160 0.74 HRH3 (0.50) HRH3PDK1PDK2
SCHEMBL738767 0.74 HRH3 (0.81) HRH3PDK1PDK2

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
WO-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed