SCHEMBL13625852

SCHEMBL13625852

COCCCn1cc(CN(C(=O)C2CNCCC2c2ccn(C)c(=O)c2)C2CC2)c2c(Br)cccc21

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 16/20 1.00
▸ CYP3A4 P08684 1/20 0.66

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
SCHEMBL12837418 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL12764381 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL12764165 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518230 0.92 REN (1.00) RENKCNH2
SCHEMBL12764155 0.92 REN (1.00) RENKCNH2
SCHEMBL1518451 0.92 REN (1.00) RENKCNH2
SCHEMBL1518446 0.92 REN (1.00) RENKCNH2
SCHEMBL1518232 0.92 REN (1.00) RENKCNH2
SCHEMBL1518449 0.92 REN (1.00) RENKCNH2
SCHEMBL12837424 0.92 REN (1.00) RENKCNH2

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-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 — — WO disclosed
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