SCHEMBL7345858

SCHEMBL7345858

CN(C(=O)c1ccc(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)c(OCC(=O)O)c1N)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IDH1 O75874 1/20 0.34
PTPN1 P18031 3/20 0.33
DRD2 P14416 2/20 0.33

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
SCHEMBL7342126 0.92 TRPM8 (0.47) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL7345623 0.91 MAPT (0.41) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL7337605 0.89 MAPT (0.41) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL7345849 0.78 MAPT (0.37) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL7345667 0.74 DRD2 (0.37) KMT2AMEN1SMN1; SMN2HPGDHIF1A
SCHEMBL7340053 0.74 SIGMAR1 (0.39) KMT2AMEN1MAPTTSHRHPGD
SCHEMBL7337600 0.73 RXFP1 (0.38) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL7344657 0.73 CA12 (0.39) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL7337773 0.72 IDO1 (0.37) KMT2AMEN1SMN1; SMN2MAPTHPGD
SCHEMBL7346426 0.72 MAPT (0.41) KMT2AMEN1SMN1; SMN2MAPTHPGD

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