SCHEMBL7914768

SCHEMBL7914768

COC(=O)c1cc(-c2ccc(OCc3cccnc3)cc2O[C@H](CCC(=O)OC(C)(C)C)c2ccccc2C)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR132 Q9UNW8 1/20 0.37

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
SCHEMBL7914766 1.00 MAPT (0.38) MAPTPOLBNPSR1GPR132
SCHEMBL7901092 0.91 MAPT (0.42) MAPTPOLBNPSR1
SCHEMBL7900697 0.85 HPGDS (0.41) MAPTPOLB
SCHEMBL7907989 0.84 POLB (0.42) MAPTPOLB
SCHEMBL7907987 0.84 POLB (0.42) MAPTPOLB
SCHEMBL7907975 0.84 POLB (0.42) MAPTPOLB
Water SCHEMBL7910665 0.84 POLB (0.41) MAPTPOLB
SCHEMBL7901161 0.83 MAPT (0.42) MAPTPOLBNPSR1
SCHEMBL7901278 0.83 MAPT (0.42) MAPTPOLBNPSR1
SCHEMBL8550835 0.81 MAPT (0.40) MAPTPOLBNPSR1GPR132

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed