SCHEMBL8081880

SCHEMBL8081880

CN(CC/C(=N\SC(C)(C)C)c1cc(Cl)ccc1C1=NC(C)(C)CO1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
PDK2 Q15119 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL499983 0.86 HTR2C (0.35) HTR2CSLC6A4CCNE2CCNE1CDK2
SCHEMBL10254301 0.85 HTR2C (0.33) HTR2CSLC6A4CCNE2CCNE1CDK2
SCHEMBL499753 0.85 HTR2C (0.33) HTR2CSLC6A4CCNE2CCNE1CDK2
SCHEMBL499754 0.85 HTR2C (0.33) HTR2CSLC6A4CCNE2CCNE1CDK2
SCHEMBL499755 0.85 HTR2C (0.33) HTR2CSLC6A4CCNE2CCNE1CDK2
SCHEMBL499316 0.77 HTR2C (0.33) HTR2CSLC6A4PDK2LMNAMAPT
SCHEMBL499315 0.77 HTR2C (0.33) HTR2CSLC6A4PDK2LMNAMAPT
SCHEMBL10254273 0.77 HTR2C (0.33) HTR2CSLC6A4PDK2LMNAMAPT
SCHEMBL499317 0.77 HTR2C (0.33) HTR2CSLC6A4PDK2LMNAMAPT
SCHEMBL499010 0.77 PDK2 (0.35) HTR2CSLC6A4PDK2LMNAMAPT

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-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed