SCHEMBL6625375

SCHEMBL6625375

CN(C)c1ccc(NC(=O)OC2CC(=O)N(c3ccc4ccccc4c3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MCL1 Q07820 2/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 5/20 0.41
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6609944 0.88 MAPT (0.49) MAPTALDH1A1KDM4ENPSR1MCL1
SCHEMBL5842470 0.83 MAPT (0.74) MAPTALDH1A1KDM4ENPSR1MCL1
SCHEMBL6610605 0.78 ACHE (0.49) MAPTALDH1A1KDM4ENPSR1MCL1
SCHEMBL6614799 0.77 MAPT (0.50) MAPTALDH1A1KDM4ENPSR1MCL1
SCHEMBL6609399 0.75 ALDH1A1 (0.41) MAPTALDH1A1KDM4ENPSR1MCL1
SCHEMBL6613763 0.75 MAPT (0.52) MAPTALDH1A1NPSR1TP53LMNA
SCHEMBL6610317 0.75 HPGD (0.49) MAPTHPGDSMN1; SMN2TDP1NPC1
SCHEMBL6609781 0.74 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPSR1MCL1
SCHEMBL6611922 0.73 ALDH1A1 (0.48) MAPTALDH1A1KDM4ENPSR1MCL1
SCHEMBL6614279 0.73 ALOX15 (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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