SCHEMBL28814635

SCHEMBL28814635

C[C@@H](O)CN1CC[C@H](CC(C)(C)OC(N)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.35
ACHE P22303 1/20 0.31
KMT2A Q03164 1/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A2 P23975 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1I Q9P0X4 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
SCHEMBL28814636 1.00 SLC6A3 (0.35) SLC6A3ACHEKMT2ASLC6A4SLC6A2
SCHEMBL27874938 0.92 SLC6A3 (0.39) SLC6A3KMT2ASLC6A4SLC6A2KCNH2
SCHEMBL27727636 0.80 ARG1 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL27836290 0.80 KCNH2 (0.33) KCNH2CACNA1I
SCHEMBL31679477 0.80 KMT2A (0.34) KMT2A
SCHEMBL27986606 0.79 DPP8 (0.39) KMT2A
SCHEMBL27986607 0.79 DPP8 (0.39) KMT2A
SCHEMBL27539771 0.77 SMN1; SMN2 (0.49) KMT2A
SCHEMBL27552123 0.76 HRH3 (0.40) KCNH2
SCHEMBL27854244 0.75 SMN1; SMN2 (0.36) KMT2AKCNH2CACNA1I

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-102762101-B Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HIGH POINT PHARMACEUTICALS LLC 2014-09-17 CN disclosed