SCHEMBL7344313

SCHEMBL7344313

CCOC(=O)CCCCCOc1ccccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.44
SGMS2 Q8NHU3 4/20 0.44
PNLIP P16233 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GBA1 P04062 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CYP19A1 P11511 1/20 0.40
MET P08581 1/20 0.39
LRRK2 Q5S007 3/20 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
SCHEMBL7348671 0.91 MEN1 (0.48) MEN1KMT2AGAASGMS2PNLIP
SCHEMBL7342936 0.89 SGMS2 (0.51) MEN1KMT2AGAASGMS2ALDH1A1
SCHEMBL7375342 0.86 PNLIP (0.39) MEN1KMT2AGAAPNLIPALDH1A1
SCHEMBL8813868 0.85 MEN1 (0.37) MEN1KMT2APNLIPALDH1A1GBA1
SCHEMBL7336898 0.85 MET (0.43) MEN1KMT2AGAASGMS2ALDH1A1
SCHEMBL7339794 0.84 GAA (0.47) MEN1KMT2AGAASGMS2MAPT
SCHEMBL7781322 0.83 BRD4 (0.44) MEN1KMT2AGAASGMS2MAPT
SCHEMBL8659622 0.81 SGMS2 (0.49) MEN1KMT2AGAASGMS2ALDH1A1
SCHEMBL7514175 0.80 MCHR1 (0.38) GAAALDH1A1MAPTHTT
SCHEMBL7342185 0.80 SGMS2 (0.55) MEN1KMT2AGAASGMS2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed