SCHEMBL6613176

SCHEMBL6613176

CCn1c2ccccc2c2cc(NC(=O)OC3CC(=O)N(Cc4cccs4)C3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 11/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 9/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
REV1 Q9UBZ9 1/20 0.46
NPY5R Q15761 5/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
RORC P51449 1/20 0.44
HCRTR1 O43613 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL6614376 0.92 MAPT (0.46) NPSR1MAPTL3MBTL1KDM4EMEN1
SCHEMBL6611824 0.87 NPY5R (0.52) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL5842037 0.86 MAPT (0.57) NPSR1MAPTL3MBTL1KDM4EMEN1
SCHEMBL6612433 0.85 MAPT (0.53) NPSR1MAPTL3MBTL1KDM4EMEN1
SCHEMBL6611923 0.85 NPSR1 (0.49) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL6614770 0.84 MAPT (0.48) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL6611567 0.82 NPY5R (0.51) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL6608899 0.82 NPY5R (0.63) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL6609640 0.82 RORC (0.50) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL6610441 0.81 MAPT (0.52) NPSR1MAPTKDM4EMEN1KMT2A

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-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