SCHEMBL6609470

SCHEMBL6609470

Cc1ccc(N2CCC(OC(=O)Nc3ccc(Nc4ccccc4)cc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.50
MAOB P27338 2/20 0.48
ACHE P22303 3/20 0.48
CHRNA7 P36544 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 1/20 0.43
MCHR1 Q99705 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
SCHEMBL6609638 0.73 BCHE (0.64) BCHEMAOBACHECHRNA7
SCHEMBL12890021 0.73 BCHE (0.69) BCHEMAOBACHECHRNA7
SCHEMBL23500782 0.72 ACACB (0.48) BCHEMAPT
SCHEMBL17392415 0.71 NOTUM (0.55) MAPT
SCHEMBL17392419 0.71 NOTUM (0.55) MAPT
SCHEMBL9427427 0.71 BCHE (0.66) BCHEMAOBACHECHRNA7
SCHEMBL12240583 0.71 GAA (0.81) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL12407207 0.71 NPC1 (0.54) BCHEMAOBNPC1RAB9AMAPT
SCHEMBL12407158 0.71 NPC1 (0.58) MAOBNPC1RAB9AMAPTTDP1
SCHEMBL12890653 0.71 BCHE (0.64) BCHEMAOBACHECHRNA7NPC1

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