SCHEMBL7084422

SCHEMBL7084422

Nc1cccc(CCOc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
OPRL1 P41146 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTGS1 P23219 1/20 0.41
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LRRK2 Q5S007 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
SMO Q99835 1/20 0.39
APOB P04114 1/20 0.39
MTTP P55157 1/20 0.39
CDK8 P49336 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
SCHEMBL6795238 0.90 SMO (0.47) ITGB1ITGA5OPRL1PTGS1GAA
SCHEMBL6499275 0.89 MTTP (0.47) ITGB1ITGA5OPRL1PTGS1SMO
SCHEMBL7133280 0.89 SORT1 (0.43) ITGB1ITGA5OPRL1CA12CA1
Hydrochloric Acid SCHEMBL6801596 0.89 SMO (0.47) ITGB1ITGA5OPRL1PTGS1GAA
SCHEMBL7083682 0.88 CA12 (0.45) CA12CA1CA2CA9PTGS1
SCHEMBL7080705 0.88 SMO (0.49) LRRK2GAAPOLBSMOAPOB
SCHEMBL7087291 0.87 OPRL1 (0.43) OPRL1CA12CA1CA2CA9
SCHEMBL7080713 0.87 ITGB1 (0.46) ITGB1ITGA5OPRL1GAAPOLB
SCHEMBL7084075 0.86 CA12 (0.43) ITGB1CA12CA1CA2CA9
SCHEMBL6677053 0.86 ITGB1 (0.44) ITGB1ITGA5OPRL1GAAPOLB

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