SCHEMBL9101358

SCHEMBL9101358

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1CCO.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
ALDH1A1 P00352 2/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
SIGMAR1 Q99720 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2014666 0.95 CA1 (0.56) CA1CA2CA4CA9ALDH1A1
SCHEMBL8229902 0.95 CA1 (0.56) CA1CA2CA4CA9ALDH1A1
SCHEMBL4708831 0.95 CA1 (0.56) CA1CA2CA4CA9ALDH1A1
Piperazine SCHEMBL9028956 0.90 CA1 (0.52) CA1CA2CA4CA9ALDH1A1
Piperazine SCHEMBL9028960 0.90 CA1 (0.52) CA1CA2CA4CA9ALDH1A1
SCHEMBL19878826 0.89 CA1 (0.50) CA1CA2CA4CA9ALDH1A1
SCHEMBL19878828 0.89 CA1 (0.50) CA1CA2CA4CA9ALDH1A1
SCHEMBL8575175 0.89 CA1 (0.49) CA1CA2CA4CA9ALDH1A1
SCHEMBL13705078 0.89 CA1 (0.49) CA1CA2CA4CA9ALDH1A1
SCHEMBL15020095 0.86 NR1H2 (0.47) CA1CA2CA4CA9ALDH1A1

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
EP-2459557-B1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2459557-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-06-06 EP disclosed