SCHEMBL7087450

SCHEMBL7087450

Cc1cccc(-c2ccccc2)c1C(=O)Nc1ccc(OCCc2cccc(N)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.49
ITGA5 P08648 5/20 0.49
ITGB3 P05106 4/20 0.47
ITGAV P06756 4/20 0.47
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PPARA Q07869 1/20 0.39
MCHR1 Q99705 1/20 0.39
TP53 P04637 1/20 0.39
PRKDC P78527 1/20 0.39
ATR Q13535 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7080713 0.85 ITGB1 (0.46) ITGB1ITGA5ITGB3ITGAVS1PR1
SCHEMBL7087451 0.85 ITGB1 (0.44) ITGB1ITGA5ITGB3ITGAVS1PR1
SCHEMBL6793279 0.83 POLB (0.47) ITGB1ITGA5S1PR1S1PR3MAPT
SCHEMBL6677053 0.83 ITGB1 (0.44) ITGB1ITGA5ITGB3ITGAVS1PR1
Hydrochloric Acid SCHEMBL6792674 0.82 POLB (0.47) ITGB1ITGA5S1PR1S1PR3MAPT
SCHEMBL6500761 0.80 ITGB1 (0.43) ITGB1ITGA5MAPTPOLBTP53
SCHEMBL7084422 0.79 ITGB1 (0.44) ITGB1ITGA5POLBGAA
SCHEMBL6499215 0.79 ITGB1 (0.43) ITGB1ITGA5MAPTPOLBTP53
SCHEMBL6491904 0.79 ITGB1 (0.43) ITGB1ITGA5MAPTPOLBTP53
SCHEMBL6500632 0.78 ITGB1 (0.44) ITGB1ITGA5MAPTTP53

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