SCHEMBL6614770

SCHEMBL6614770

CCn1c2ccccc2c2cc(NC(=O)OC3CC(=O)N(Cc4ccccc4Cl)C3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
REV1 Q9UBZ9 1/20 0.47
USP2 O75604 1/20 0.46
NPY5R Q15761 3/20 0.46
HPGD P15428 4/20 0.45
RORC P51449 2/20 0.45
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HCRTR1 O43613 1/20 0.44
PAX8 Q06710 1/20 0.44
CNR2 P34972 1/20 0.44
GAA P10253 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
SCHEMBL6611824 0.90 NPY5R (0.52) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL6611923 0.89 NPSR1 (0.49) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL5841477 0.86 NPSR1 (0.52) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL6610441 0.85 MAPT (0.52) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL6613176 0.84 NPSR1 (0.48) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL6612433 0.84 MAPT (0.53) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL6611567 0.83 NPY5R (0.51) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL6609640 0.82 RORC (0.50) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL6608899 0.81 NPY5R (0.63) MAPTLMNANPSR1KDM4EMEN1
SCHEMBL6614771 0.81 NPSR1 (0.53) MAPTLMNANPSR1KDM4EMEN1

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