SCHEMBL4869666

SCHEMBL4869666

CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.46
GAA P10253 1/20 0.46
S1PR5 Q9H228 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 5/20 0.44
JAK1 P23458 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CACNA1B Q00975 1/20 0.41

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
SCHEMBL8919552 0.88 KMT2A (0.57) TEAD1S1PR5KMT2AL3MBTL1JAK1
SCHEMBL25473933 0.86 TEAD1 (0.49) TEAD1KMT2AL3MBTL1
SCHEMBL22719762 0.86 TEAD1 (0.49) TEAD1KMT2AL3MBTL1
SCHEMBL25473941 0.86 TEAD1 (0.49) TEAD1KMT2AL3MBTL1
SCHEMBL29725714 0.81 CCR2 (0.55) TEAD1KMT2AL3MBTL1DRD2
SCHEMBL29725664 0.81 CCR2 (0.55) TEAD1KMT2AL3MBTL1DRD2
SCHEMBL4433119 0.81 CCR2 (0.55) TEAD1KMT2AL3MBTL1DRD2
SCHEMBL21499091 0.81 HRH3 (0.41) TEAD1KMT2AL3MBTL1JAK1HRH3
SCHEMBL29686800 0.81 HRH3 (0.41) TEAD1KMT2AL3MBTL1JAK1HRH3
SCHEMBL4848198 0.80 KMT2A (0.60) GAAKMT2AL3MBTL1

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-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed