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SCHEMBL5069697

SCHEMBL5069697

COCCCc1cc(CN(C(=O)C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCc2ncccc2O)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.77
▸ REN P00797 19/20 0.69
▸ KCNH2 Q12809 5/20 0.52

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
SCHEMBL5071363 0.96 CYP3A4 (0.79) CYP3A4RENKCNH2
SCHEMBL5069415 0.92 CYP3A4 (0.64) CYP3A4RENKCNH2
SCHEMBL664889 0.90 CYP3A4 (0.79) CYP3A4RENKCNH2
SCHEMBL661812 0.90 CYP3A4 (0.95) CYP3A4RENKCNH2
SCHEMBL662604 0.89 CYP3A4 (0.78) CYP3A4RENKCNH2
SCHEMBL664262 0.89 CYP3A4 (0.82) CYP3A4RENKCNH2
SCHEMBL660700 0.89 CYP3A4 (0.86) CYP3A4RENKCNH2
SCHEMBL664020 0.88 CYP3A4 (0.80) CYP3A4RENKCNH2
SCHEMBL5069408 0.87 REN (0.67) CYP3A4REN
SCHEMBL12138343 0.87 CYP3A4 (0.88) CYP3A4RENKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 — — EP claimed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 — — WO claimed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 — — EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 — — WO disclosed