SCHEMBL6612299

SCHEMBL6612299

CCn1c2ccccc2c2cc(NC(=O)OC3CC(=O)N(CCc4ccccn4)C3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 9/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
USP2 O75604 1/20 0.46
NPY5R Q15761 6/20 0.46
MAPT P10636 10/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.43
RORC P51449 1/20 0.43
GAA P10253 1/20 0.43
REV1 Q9UBZ9 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HCRTR1 O43613 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL6611567 0.88 NPY5R (0.51) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL5842182 0.86 NPSR1 (0.48) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL6614376 0.84 MAPT (0.46) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL6611824 0.82 NPY5R (0.52) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL6608899 0.82 NPY5R (0.63) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL6608732 0.82 NPY5R (0.47) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL6611923 0.80 NPSR1 (0.49) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL6609640 0.80 RORC (0.50) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL6613455 0.80 NPC1 (0.45) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6614770 0.80 MAPT (0.48) NPSR1KDM4EMEN1KMT2AUSP2

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