SCHEMBL16638908

SCHEMBL16638908

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM1A O60341 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
CCR2 P41597 1/20 0.33
HSD11B1 P28845 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GRIN2B Q13224 2/20 0.31

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
SCHEMBL16638910 0.91 OPRK1 (0.34) OPRK1
SCHEMBL16638906 0.89 OPRK1 (0.43) OPRK1SLC6A2
SCHEMBL10239898 0.89 OPRK1 (0.43) OPRK1SLC6A2
SCHEMBL16638930 0.88 OPRK1 (0.37) OPRK1HSD11B1
SCHEMBL2618744 0.87 OPRK1 (0.35) OPRK1
SCHEMBL16638949 0.83 SLC6A2 (0.34) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL16638950 0.80 HCRTR1 (0.40)
SCHEMBL2118616 0.79 HTR2A (0.37) OPRK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL2118621 0.79 HTR2A (0.37) OPRK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL10239895 0.78 OPRK1 (0.33) OPRK1HTR2AHTR2CHTR2B

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