SCHEMBL16638949

SCHEMBL16638949

CC(C)(CC[C@@H]1C[C@@]1(C=O)c1cccc(F)c1)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CCR2 P41597 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM1A O60341 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
GRIN2B Q13224 1/20 0.32
BACE1 P56817 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
SCHEMBL16638921 0.89 SLC6A2 (0.31) SLC6A2
SCHEMBL10239906 0.89 SLC6A2 (0.31) SLC6A2
SCHEMBL16638908 0.83 OPRK1 (0.35) SLC6A2SLC6A4CCR2HTR2AHTR2C
SCHEMBL2118280 0.78 HTR2A (0.36) SLC6A2SLC6A4CCR2HTR2AHTR2C
SCHEMBL16638910 0.77 OPRK1 (0.34)
SCHEMBL16638930 0.73 OPRK1 (0.37) HSD11B1
SCHEMBL10239898 0.73 OPRK1 (0.43) SLC6A2
SCHEMBL16638906 0.73 OPRK1 (0.43) SLC6A2
SCHEMBL2618744 0.71 OPRK1 (0.35)
SCHEMBL16638950 0.71 HCRTR1 (0.40)

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-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed