SCHEMBL7823802

SCHEMBL7823802

CCOC(=O)c1ccc(N(CC(O)COc2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)C2CCNCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
GLO1 Q04760 1/20 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
ABCB1 P08183 3/20 0.35
RXRA P19793 1/20 0.35
MAPT P10636 3/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
MBTPS1 Q14703 1/20 0.34

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
SCHEMBL7827854 0.90 RXRA (0.36) BRD4ABCB1RXRAMAPTUSP2
SCHEMBL12380684 0.78 MAPT (0.37) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL2295690 0.78 MAPT (0.37) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL2295688 0.78 MAPT (0.37) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL7472518 0.77 LMNA (0.45) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL7470305 0.77 MAPT (0.37) ABCB1MAPTUSP2TSHRMAPK1
SCHEMBL5263655 0.76 LMNA (0.43) ABCB1MAPTMAPK1NPSR1MEN1
SCHEMBL3286843 0.76 LMNA (0.43) ABCB1MAPTMAPK1NPSR1MEN1
SCHEMBL5203047 0.74 ADRB3 (0.48) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL7812791 0.74 CACNA1B (0.45) MAPTTSHRMAPK1GABRA1GABRG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed