SCHEMBL6608899

SCHEMBL6608899

CCn1c2ccccc2c2cc(NC(=O)OC3CC(=O)N(CCN4CCOCC4)C3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.63
MEN1 O00255 10/20 0.57
KMT2A Q03164 10/20 0.57
MAPT P10636 10/20 0.57
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 4/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 2/20 0.57
GAA P10253 3/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
USP2 O75604 2/20 0.47
REV1 Q9UBZ9 1/20 0.46
PTGER4 P35408 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL5842084 0.86 NPY5R (0.66) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6611567 0.86 NPY5R (0.51) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6614376 0.84 MAPT (0.46) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6611824 0.84 NPY5R (0.52) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6608732 0.83 NPY5R (0.47) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6612299 0.82 NPSR1 (0.46) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6612433 0.82 MAPT (0.53) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6613176 0.82 NPSR1 (0.48) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6611923 0.82 NPSR1 (0.49) NPY5RMEN1KMT2AMAPTKDM4E
SCHEMBL6609640 0.82 RORC (0.50) NPY5RMEN1KMT2AMAPTKDM4E

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
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP claimed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO claimed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed