SCHEMBL1911397

SCHEMBL1911397

COCCC(=O)N1CC(C)(C)Oc2ccc(N(C(=O)[C@@H]3CCCNC3)C3CC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.40
CDK9 P50750 1/20 0.34

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
SCHEMBL89624 0.81 REN (0.35) REN
SCHEMBL1911372 0.79 REN (0.49) REN
SCHEMBL1911355 0.73 REN (0.43) REN
SCHEMBL10283271 0.72 REN (0.44) REN
SCHEMBL1911379 0.71 REN (0.43) REN
SCHEMBL15087881 0.71 FGFR4 (0.33)
SCHEMBL89951 0.71 FGFR4 (0.33) REN
SCHEMBL10282959 0.70 REN (0.59) RENCDK9
SCHEMBL1911386 0.70 REN (0.56) RENCDK9
SCHEMBL10283299 0.69 REN (0.57) RENCDK9

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