SCHEMBL8701955

SCHEMBL8701955

O=C(OCCC1(c2ccc(Cl)c(Cl)c2)CCCN(Cc2ccccc2)C1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR1 P25103 14/20 0.41
TACR2 P21452 1/20 0.40
TACR3 P29371 1/20 0.40
RIPK1 Q13546 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8702617 0.84 MEN1 (0.51) MEN1KMT2ATACR1TACR2TACR3
SCHEMBL8706204 0.82 MEN1 (0.49) MEN1KMT2ATACR1TACR2TACR3
SCHEMBL8703023 0.82 MEN1 (0.45) MEN1KMT2ATACR1TACR2TACR3
SCHEMBL8701915 0.79 TACR1 (0.43) MEN1KMT2ATACR1TACR2TACR3
SCHEMBL8703039 0.79 TACR2 (0.38) TACR1TACR2TACR3TDP1
SCHEMBL4631251 0.76 TACR1 (0.40) TACR1TACR2TACR3
SCHEMBL8707339 0.76 TACR1 (0.43) MEN1KMT2ATACR1TACR2TACR3
SCHEMBL8703187 0.74 TACR1 (0.55) TACR1TACR2TACR3
SCHEMBL8702396 0.73 TACR1 (0.47) TACR1TACR2TACR3
SCHEMBL8702880 0.73 TACR1 (0.47) 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