SCHEMBL1911550

SCHEMBL1911550

COCCCOc1cc(CN(C(=O)[C@H]2CCCNC2)C2CC2)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 1.00
ALOX15 P16050 1/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2811991 0.83 REN (1.00) REN
SCHEMBL13131426 0.83 REN (1.00) REN
Hydrochloric Acid SCHEMBL2806005 0.83 REN (0.98) REN
SCHEMBL13131839 0.81 REN (0.96) REN
SCHEMBL13625727 0.81 REN (0.68) RENKCNH2
SCHEMBL90365 0.80 REN (0.69) RENKCNH2
SCHEMBL13131545 0.79 REN (0.73) REN
SCHEMBL13131556 0.79 REN (0.73) REN
SCHEMBL13625565 0.78 REN (0.64) RENKCNH2
SCHEMBL90497 0.78 REN (0.66) 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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed