SCHEMBL7083682

SCHEMBL7083682

Nc1cccc(CCNc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
PTGS1 P23219 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV4 Q9HBA0 1/20 0.42
IL2 P60568 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7084075 0.90 CA12 (0.43) CA12CA1CA2CA9RXFP1
SCHEMBL7084151 0.89 CA12 (0.43) CA12CA1CA2CA9PTGS1
SCHEMBL6489566 0.89 GCGR (0.43) PTGS1IL2TRPV1MCHR1APOB
SCHEMBL6492769 0.89 P2RX1 (0.50) PTGS1MAPTMEN1KMT2AIL2
SCHEMBL6791861 0.89 PTGS1 (0.51) PTGS1ALDH1A1TRPV1APOBSMO
SCHEMBL7084422 0.88 ITGB1 (0.44) CA12CA1CA2CA9PTGS1
SCHEMBL6493011 0.88 MTTP (0.48) PTGS1IL2TRPV1MCHR1APOB
SCHEMBL6490270 0.87 LMNA (0.45) PTGS1LMNAIL2TRPV1MCHR1
SCHEMBL6489781 0.87 L3MBTL1 (0.47) LMNAMEN1HTTKMT2AL3MBTL1
SCHEMBL6492891 0.86 MTTP (0.41) PTGS1TRPV1MCHR1APOBSMO

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