SCHEMBL1031019

SCHEMBL1031019

Cc1cn(Cc2ccc(C(F)(F)F)cc2)c(OC(=O)NCCc2ccccc2)c1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37

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
SCHEMBL1032311 0.86 ADORA2A (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1030837 0.85 NPC1 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4PDE4A
SCHEMBL1031997 0.77 TAAR1 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4EPHX2
SCHEMBL1032310 0.77 ADORA2A (0.42) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL1031076 0.76 KLKB1 (0.40) TSHRHSD17B10NPC1RAB9AALDH1A1
SCHEMBL1031640 0.76 ALDH1A1 (0.52) TSHRKDM4EHSD17B10NPSR1NPC1
SCHEMBL1030942 0.75 POLB (0.39) HSD17B10NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4122565 0.75 ALDH1A1 (0.41) TSHRKDM4EHSD17B10RAB9AALDH1A1
SCHEMBL1029337 0.73 SMN1; SMN2 (0.41) KDM4EHSD17B10NPSR1ALDH1A1SMN1; SMN2
SCHEMBL1030443 0.73 RAB9A (0.46) PLAAT3PLAAT5PLAAT2PLAAT4TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP claimed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP disclosed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO disclosed