SCHEMBL6609640

SCHEMBL6609640

CCn1c2ccccc2c2cc(NC(=O)OC3CC(=O)N(CC(O)c4ccccc4)C3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.50
NPY2R P49146 1/20 0.50
MAPT P10636 9/20 0.49
LMNA P02545 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 7/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
USP2 O75604 1/20 0.47
NPY5R Q15761 4/20 0.46
REV1 Q9UBZ9 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HCRTR1 O43613 1/20 0.45
PAX8 Q06710 1/20 0.45
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
SCHEMBL6611824 0.87 NPY5R (0.52) RORCMAPTLMNANPSR1HPGD
SCHEMBL5842710 0.86 RORC (0.53) RORCNPY2RMAPTLMNANPSR1
SCHEMBL6611567 0.85 NPY5R (0.51) RORCMAPTLMNANPSR1HPGD
SCHEMBL6614771 0.83 NPSR1 (0.53) RORCMAPTLMNANPSR1HPGD
SCHEMBL6611923 0.83 NPSR1 (0.49) RORCMAPTLMNANPSR1HPGD
SCHEMBL6614770 0.82 MAPT (0.48) RORCMAPTLMNANPSR1HPGD
SCHEMBL6608899 0.82 NPY5R (0.63) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL6613176 0.82 NPSR1 (0.48) RORCMAPTLMNANPSR1HPGD
SCHEMBL6612433 0.82 MAPT (0.53) RORCMAPTLMNANPSR1HPGD
SCHEMBL6610932 0.81 BCHE (0.45) MAPTGAAMEN1KMT2ARAB9A

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