SCHEMBL6615359

SCHEMBL6615359

COc1ccc(C)c(N2CC(OC(=O)Nc3ccc(N(C)c4nc(C)cc(C)n4)cc3)CC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6613841 0.91 ALDH1A1 (0.39) MAPTNPSR1HPGDKDM4EALDH1A1
SCHEMBL6609690 0.90 CRHR1 (0.38) MAPTNPSR1HPGDKDM4EALDH1A1
SCHEMBL6617034 0.88 MTNR1A (0.46) MAPTNPSR1HPGDKDM4EALDH1A1
SCHEMBL5842942 0.87 MAPT (0.53) MAPTNPSR1HPGDKDM4EALDH1A1
SCHEMBL6610719 0.86 SLC2A1 (0.45) MAPTNPSR1HPGDKDM4EALDH1A1
SCHEMBL6609900 0.82 ALOX15 (0.43) MAPTNPSR1HPGDKDM4EALDH1A1
SCHEMBL6612072 0.81 MTNR1A (0.40) MAPTNPSR1HPGDKDM4EALDH1A1
SCHEMBL6612194 0.81 MAPT (0.39) MAPTNPSR1HPGDKDM4EALDH1A1
SCHEMBL6611071 0.81 MAPT (0.43) MAPTNPSR1ALDH1A1SMN1; SMN2POLB
SCHEMBL6609399 0.81 ALDH1A1 (0.41) MAPTNPSR1HPGDKDM4EALDH1A1

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