SCHEMBL6848976

SCHEMBL6848976

CCS(=O)(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
MMP13 P45452 1/20 0.44
GPR119 Q8TDV5 6/20 0.42
TACR1 P25103 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4B Q07343 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TACR3 P29371 1/20 0.41
ENPP2 Q13822 1/20 0.40
DPP4 P27487 1/20 0.40
RORC P51449 2/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL6689951 1.00 SCN9A (0.48) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL6689639 1.00 SCN9A (0.48) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL6689948 1.00 SCN9A (0.48) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL18345004 0.91 SCN9A (0.49) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL4436548 0.91 SCN9A (0.49) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL4760197 0.91 SCN9A (0.49) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL6694621 0.91 SCN9A (0.49) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL5459736 0.91 SCN9A (0.49) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL6694227 0.87 SCN9A (0.47) SCN9AMMP13GPR119TACR1MEN1
SCHEMBL6696975 0.87 SCN9A (0.47) SCN9AMMP13GPR119TACR1MEN1

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
EP-1384711-A1 Optical resolution of a piperidine derivative SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-01-28 EP disclosed