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Sugi Predict / Compounds / SCHEMBL3432853

SCHEMBL3432853

SCHEMBL3432853

COCCCc1cc(CN(C(=O)C2CNCC[C@]2(O)c2cccc(F)c2)C2CC2)cc(OCCOC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 1.00
▸ KCNH2 Q12809 13/20 0.84
▸ CYP3A4 P08684 9/20 0.84

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
SCHEMBL3103052 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3103067 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3112186 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3112174 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3114275 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3100282 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3114263 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3100270 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3431241 0.92 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3091876 0.92 REN (0.87) RENKCNH2CYP3A4

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-2229363-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-09-22 — — EP claimed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 — — WO claimed
EP-2229363-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-09-22 — — EP disclosed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 — — WO disclosed