SCHEMBL7345623

SCHEMBL7345623

CCOC(=O)COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)C2CCCCC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HSD11B1 P28845 1/20 0.34
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HCRTR1 O43613 1/20 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
SCHEMBL7345858 0.91 KMT2A (0.41) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7342126 0.88 TRPM8 (0.47) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7337605 0.87 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7345615 0.79 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7339789 0.74 CA12 (0.39) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7345667 0.72 DRD2 (0.37) MEN1KMT2ASMN1; SMN2HPGDCA12
SCHEMBL7337773 0.72 IDO1 (0.37) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7346426 0.72 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7343594 0.71 SIGMAR1 (0.36) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7337600 0.71 RXFP1 (0.38) MAPTMEN1KMT2ASMN1; SMN2GAA

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