SCHEMBL7080596

SCHEMBL7080596

CC(C)(C)OC(=O)N(c1ccc(N)cc1)C(Cc1ccccn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.42
CYP1A2 P05177 3/20 0.36
SLC1A5 Q15758 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FDPS P14324 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
MAOB P27338 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAOA P21397 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL6788946 0.89 GAA (0.35) PTPRACYP1A2L3MBTL1SMN1; SMN2MAPT
SCHEMBL7924347 0.78 CYP1A2 (0.42) CYP1A2L3MBTL1MAOBSMN1; SMN2MAOA
SCHEMBL6487391 0.76 KDM4E (0.41) CYP1A2L3MBTL1CYP2D6TSHRKMT2A
SCHEMBL6795835 0.75 KMT2A (0.41) CYP1A2L3MBTL1MAPTKMT2AMEN1
SCHEMBL18301525 0.75 SLC7A5 (0.43) CYP1A2L3MBTL1SLC7A5
SCHEMBL7251795 0.75 F2 (0.40) L3MBTL1GPR132ALDH1A1SLC7A5
SCHEMBL7244994 0.75 F2 (0.40) L3MBTL1GPR132ALDH1A1SLC7A5
SCHEMBL10521312 0.75 NR1H2 (0.34) ALDH1A1SLC7A5HDAC6
SCHEMBL27751076 0.75 SMN1; SMN2 (0.39) CYP1A2L3MBTL1SMN1; SMN2CYP2D6TSHR
SCHEMBL7250534 0.74 POLB (0.46) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1

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-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed