SCHEMBL2146267

SCHEMBL2146267

CO[C@@H]1C[C@H](CO)N(C(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.32
ADRA2C P18825 1/20 0.32
KCNH2 Q12809 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
SCHEMBL2146649 1.00 CFB (0.32) CFBADRA2CKCNH2
SCHEMBL18349433 0.83 HTT (0.31)
SCHEMBL890073 0.83 HTT (0.31)
SCHEMBL18349457 0.80
SCHEMBL1440132 0.78
SCHEMBL5795232 0.77
SCHEMBL18349445 0.76 GBA2 (0.30)
SCHEMBL18349463 0.75
SCHEMBL23060724 0.75 GAA (0.35) CFBADRA2CKCNH2
SCHEMBL21908558 0.75 GAA (0.35) CFBADRA2CKCNH2

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
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed