SCHEMBL8706751

SCHEMBL8706751

O=C(O)C(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4C Q9H3R0 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL7496624 0.87 SLC6A3 (0.50) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8695178 0.83 TACR2 (0.43) SLC6A3
SCHEMBL6579345 0.82 SLC6A3 (0.45) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL9053699 0.81 SLC6A3 (0.44) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8393742 0.81 SLC6A3 (0.44) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL6577520 0.81 SLC6A3 (0.44) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5858706 0.80 SLC6A3 (0.42) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8391383 0.79 SLC6A3 (0.42) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL4630703 0.79 SLC6A3 (0.45) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8972640 0.79 SLC6A3 (0.48) SLC6A3MEN1KMT2ASLC6A2SLC6A4

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