SCHEMBL3259373

SCHEMBL3259373

COCCCc1cc(CN(C(=O)C2CNCCC2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCN(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 1.00
KCNH2 Q12809 18/20 1.00
CYP3A4 P08684 9/20 1.00

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
SCHEMBL3124522 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3122399 0.95 REN (1.00) RENKCNH2CYP3A4
SCHEMBL3132694 0.94 REN (0.96) RENKCNH2CYP3A4
SCHEMBL3122463 0.92 REN (0.91) RENKCNH2CYP3A4
SCHEMBL3251287 0.92 REN (0.91) RENKCNH2CYP3A4
SCHEMBL13268192 0.92 REN (0.91) RENKCNH2CYP3A4
SCHEMBL3034460 0.92 REN (0.91) RENKCNH2CYP3A4
SCHEMBL8163856 0.92 REN (0.90) RENKCNH2CYP3A4
SCHEMBL3124429 0.92 REN (0.93) RENKCNH2CYP3A4
SCHEMBL3126938 0.91 REN (0.91) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097377-B1 RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2010-07-07 EP disclosed