SCHEMBL13765689

SCHEMBL13765689

CCC(CC)N1CC(C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.36
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13330256 0.83 TSHR (0.38) GRM2CA1CA9
SCHEMBL10308830 0.78 HTR2B (0.38) GRM2CA1CA9SMN1; SMN2
SCHEMBL10545641 0.75 GRM2 (0.38) GRM2
SCHEMBL6551798 0.74 GRM2 (0.34) GRM2CA1CA9SMN1; SMN2
SCHEMBL8865845 0.73 GRM2 (0.34) GRM2SMN1; SMN2
SCHEMBL8867264 0.72 GRM2 (0.36) GRM2SMN1; SMN2
SCHEMBL10546403 0.71 SMN1; SMN2 (0.40) GRM2SMN1; SMN2
SCHEMBL10548107 0.70 GRM2 (0.36) GRM2SMN1; SMN2
SCHEMBL6551761 0.69
SCHEMBL12058915 0.69

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
US-20090186798-A1 Colour-Care Composition THE PROCTER & GAMBLE COMPANY 2009-07-23 US disclosed