SCHEMBL8701915

SCHEMBL8701915

CS(=O)(=O)OCCCC1(c2ccc(Cl)c(Cl)c2)CCCN(Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR2 P21452 2/20 0.41
TACR3 P29371 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL8703023 0.94 MEN1 (0.45) TACR1MEN1KMT2ATACR2TACR3
SCHEMBL8706204 0.83 MEN1 (0.49) TACR1MEN1KMT2ATACR2TACR3
SCHEMBL8702617 0.81 MEN1 (0.51) TACR1MEN1KMT2ATACR2TACR3
SCHEMBL8707339 0.80 TACR1 (0.43) TACR1MEN1KMT2ATACR2TACR3
SCHEMBL8701955 0.79 MEN1 (0.44) TACR1MEN1KMT2ATACR2TACR3
SCHEMBL7847578 0.78 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL8705424 0.77 TACR1 (0.72) TACR1TACR2TACR3
SCHEMBL4631309 0.75 TACR1 (0.45) TACR1TACR2TACR3
SCHEMBL4662770 0.75 TACR1 (0.43) TACR1TACR2TACR3
SCHEMBL8296291 0.74 TACR1 (0.63) TACR1TACR2TACR3

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
WO-1998018762-A1 NEW DERIVATIVES OF DIVERSELY SUBSTITUTED CYCLICAL AMIDE SELECTIVE ANTAGONISTS OF THE HUMAN RECEPTOR NK3, PROCESS FOR OBTAINING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1998-05-07 WO disclosed