SCHEMBL6683076

SCHEMBL6683076

NC(=O)OCC(c1ccc(N)cc1)c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC6A3 Q01959 9/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
KLK1 P06870 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6678956 0.84 ALDH1A1 (0.38) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL6679213 0.77 CYP2D6 (0.48) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL6682506 0.77 SMN1; SMN2 (0.38) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL29115890 0.69 CYP1A2 (0.49) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL29115798 0.69 CYP1A2 (0.49) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL29115797 0.69 CYP1A2 (0.49) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL6683073 0.68 SLC6A3 (0.39) PKMSLC6A3SLC6A2SLC6A4
SCHEMBL7605459 0.66 CYP1A2 (0.42) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL1937037 0.64 CYP1A2 (0.44) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL1321714 0.61 NPSR1 (0.47) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed