SCHEMBL7084151

SCHEMBL7084151

Nc1cccc(CCC(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MCHR1 Q99705 2/20 0.42
PTGS1 P23219 4/20 0.41
PLAU P00749 3/20 0.41
PLAT P00750 3/20 0.41
PLG P00747 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6793205 0.89 PTGS1 (0.47) MCHR1PTGS1KDM4ETRPV1
SCHEMBL7083682 0.89 CA12 (0.45) CA12CA1CA2CA9MCHR1
SCHEMBL7080710 0.88 SORT1 (0.43) CA12CA1CA2CA9MCHR1
SCHEMBL7084075 0.87 CA12 (0.43) CA12CA1CA2CA9MCHR1
SCHEMBL7084422 0.85 ITGB1 (0.44) CA12CA1CA2CA9PTGS1
SCHEMBL7083646 0.79 GAA (0.49) MAPTNPC1RAB9AKIT
SCHEMBL6489566 0.79 GCGR (0.43) MCHR1PTGS1TRPV1IL2KIT
SCHEMBL6492769 0.79 P2RX1 (0.50) MCHR1PTGS1KDM4EMAPTPPARG
SCHEMBL6799011 0.79 PTGS1 (0.47) MCHR1PTGS1MAPTTRPV1
SCHEMBL6791861 0.78 PTGS1 (0.51) PTGS1TRPV1KIT

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