SCHEMBL28215932

SCHEMBL28215932

CC(=O)OC(C)(C)C.CC(N)C1CCOC(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 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
SCHEMBL28517071 1.00 HCRTR2 (0.32) HCRTR2
SCHEMBL28638475 0.78 HCRTR2 (0.32) HCRTR2
SCHEMBL28284532 0.74 HCRTR2 (0.33) HCRTR2
SCHEMBL28038229 0.74 HCRTR2 (0.33) HCRTR2
SCHEMBL28478261 0.74 HCRTR2 (0.33) HCRTR2
SCHEMBL28523544 0.74 GRM2 (0.30)
SCHEMBL27833576 0.74 HCRTR2 (0.33) HCRTR2
SCHEMBL29286731 0.73 HCRTR2 (0.32) HCRTR2
SCHEMBL28145038 0.73 USP2 (0.37) HCRTR2
SCHEMBL15355836 0.71

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
CN-104151286-B A kind of method prepared by Atorvastatin calcium intermediate 湖北益泰药业有限公司 2018-05-15 CN claimed