SCHEMBL7345849

SCHEMBL7345849

CN(C(=O)c1ccc(NC(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)c(OCC(=O)O)c1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ITK Q08881 2/20 0.36
RXFP1 Q9HBX9 4/20 0.36
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
AVPR1B P47901 2/20 0.36
HIF1A Q16665 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
PTPN1 P18031 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL7342119 0.92 SGMS2 (0.46) MEN1KMT2ASMN1; SMN2GAASGMS2
SCHEMBL7345615 0.92 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7337600 0.90 RXFP1 (0.38) MAPTMEN1KMT2ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7337081 0.86 ITK (0.40) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7345964 0.79 LMNA (0.49) MEN1KMT2AGAA
SCHEMBL7345858 0.78 KMT2A (0.41) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7338831 0.77 PYGL (0.47) MAPTMEN1KMT2AGAA
SCHEMBL7342516 0.77 ALDH1A1 (0.41) MAPTMEN1KMT2AGAA
SCHEMBL7344390 0.77 RXFP1 (0.42) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7778277 0.77 BRD4 (0.52) MEN1KMT2AGAASGMS2

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