SCHEMBL793843

SCHEMBL793843

CC(C)(C)[N+]1(C(=O)[O-])CCC[C@@H](N)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL794100 1.00 MEN1 (0.34) MEN1TSHRKMT2A
SCHEMBL1563472 0.95 MEN1 (0.30) MEN1TSHRKMT2A
SCHEMBL2330617 0.95 MEN1 (0.30) MEN1TSHRKMT2A
SCHEMBL793408 0.89
SCHEMBL793302 0.89
SCHEMBL2335646 0.86 MEN1 (0.34) MEN1TSHRKMT2A
SCHEMBL5968494 0.81 TSHR (0.35) MEN1TSHRKMT2A
SCHEMBL6421985 0.81 TSHR (0.35) MEN1TSHRKMT2A
SCHEMBL5547601 0.79 CYP2D6 (0.35) MEN1TSHRKMT2A
SCHEMBL3994294 0.79 CYP2D6 (0.35) MEN1TSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2010091721-A1 3 -SUBSTITUTED 1-ARYLSULFONYLPIPERIDINE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2010-08-19 WO disclosed