SCHEMBL7348695

SCHEMBL7348695

COC(=O)c1ccc(NC(=O)c2ccccc2OCCCN(C)C(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.46
RXFP1 Q9HBX9 2/20 0.44
MAPT P10636 7/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7780835 0.93 LMNA (0.48) PYGLRXFP1MAPTTSHRHSD17B10
SCHEMBL7338831 0.84 PYGL (0.47) PYGLMAPTTSHRHSD17B10GAA
SCHEMBL7345964 0.76 LMNA (0.49) PYGLGAAMEN1KMT2AKDM4E
SCHEMBL7345228 0.76 AVPR2 (0.39) RXFP1GAATP53
SCHEMBL7339795 0.76 SGMS2 (0.57) PYGLMAPTTSHRHSD17B10GAA
SCHEMBL990949 0.75 PDK2 (0.43) MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL7342516 0.73 ALDH1A1 (0.41) MAPTGAAMEN1KMT2ANPSR1
SCHEMBL7344390 0.73 RXFP1 (0.42) RXFP1MAPTGAAMEN1KMT2A
SCHEMBL7344448 0.73 PYGL (0.58) PYGLMAPTTSHRHSD17B10GAA
SCHEMBL7780810 0.72 TP53 (0.42) RXFP1MAPTGAAMEN1KMT2A

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
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed