SCHEMBL3431241

SCHEMBL3431241

COCCCc1cc(CN(C(=O)C2CNCC[C@]2(O)c2ccc(F)cc2)C2CC2)cc(OCCOC)c1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.87
KCNH2 Q12809 12/20 0.86
CYP3A4 P08684 9/20 0.86

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
SCHEMBL3091862 1.00 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3091876 1.00 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3112167 0.93 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3112157 0.93 REN (0.87) RENKCNH2CYP3A4
SCHEMBL3112174 0.93 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3112186 0.93 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3107683 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3102098 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3113331 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3113344 0.92 REN (1.00) 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 2 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 disclosed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed