SCHEMBL4045744

SCHEMBL4045744

NC(=O)OCCCOc1cccc(CNC[C@H](O)[CH]Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
BCHE P06276 4/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
ADRB2 P07550 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
C1S P09871 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL4048154 0.85 BCHE (0.43) BCHESPHK2SPHK1CD274BACE1
SCHEMBL27593038 0.78 DNM1 (0.55) KDM4EBCHESMN1; SMN2BACE1HDAC1
SCHEMBL7054663 0.78 DNM1 (0.55) KDM4EBCHESMN1; SMN2BACE1HDAC1
SCHEMBL4043818 0.77 BCHE (0.41) LMNABCHESPHK2SPHK1BACE1
SCHEMBL4045031 0.77 KDM1A (0.46) LMNABCHEBACE1HDAC8HDAC6
SCHEMBL3355569 0.75 BACE1 (0.42) BACE1
SCHEMBL4041765 0.74 ADRB3 (0.46) KDM4EADRB2TDP1
SCHEMBL3939381 0.73 BCHE (0.47) LMNABCHEBACE1
SCHEMBL4040582 0.73 KIT (0.39) LMNABCHEBACE1
SCHEMBL7051763 0.73 BCHE (0.59) KDM4EBCHESMN1; SMN2

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-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO disclosed