SCHEMBL3644752

SCHEMBL3644752

COCOc1cnc(CC(C)(C)C)cc1CCO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.33
EGFR P00533 1/20 0.31
XDH P47989 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
SCHEMBL3646669 0.89 LNPEP (0.32) LNPEPEGFR
SCHEMBL3644652 0.80
SCHEMBL3644831 0.76 PPARG (0.40) XDH
SCHEMBL2078392 0.75 LNPEP (0.31) LNPEP
SCHEMBL2076843 0.75 CYP3A4 (0.36) LNPEPEGFRXDH
SCHEMBL6608408 0.69 PDE4A (0.36) EGFRXDH
SCHEMBL348569 0.69 NPC1 (0.37) EGFRXDH
SCHEMBL3644242 0.69 MEN1 (0.36) EGFRXDH
SCHEMBL24046764 0.68 PDE4A (0.39) EGFRXDH
SCHEMBL15969312 0.67 KCNN4 (0.33) EGFRXDH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167471-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2010-03-31 EP disclosed
WO-2008147544-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed