SCHEMBL7337773

SCHEMBL7337773

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2O)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 4/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 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
SCHEMBL7346426 0.94 MAPT (0.41) MAPTHTTHSP90AA1NPSR1CA12
SCHEMBL7336405 0.91 MAPT (0.37) MAPTHTTHSP90AA1NPSR1CA12
SCHEMBL7348293 0.91 MAPT (0.37) MAPTHTTHSP90AA1NPSR1CA12
SCHEMBL7347827 0.90 MAPT (0.36) MAPTHTTHSP90AA1NPSR1CA12
SCHEMBL7338581 0.88 HDAC3 (0.36) MAPTHTTHSP90AA1NPSR1KMT2A
SCHEMBL7348272 0.86 HDAC3 (0.35) MAPTHTTHSP90AA1NPSR1KMT2A
SCHEMBL7338022 0.86 ALDH1A1 (0.35) MAPTHTTHSP90AA1NPSR1KMT2A
SCHEMBL7344082 0.86 HDAC3 (0.35) MAPTHTTHSP90AA1NPSR1CA1
SCHEMBL7345667 0.86 DRD2 (0.37) HTTHSP90AA1NPSR1CA12CA1
SCHEMBL7773843 0.86 TRPM8 (0.34) MAPTHTTHSP90AA1NPSR1CA12

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