SCHEMBL1028249

SCHEMBL1028249

CCn1cc(C)c(-c2ccc(Cl)cc2)c1OC(=O)NCc1c(OC)cccc1OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.38
ATM Q13315 1/20 0.36
ROCK2 O75116 1/20 0.36
MTNR1B P49286 2/20 0.36
TP53 P04637 2/20 0.36
MTNR1A P48039 1/20 0.36
MAPT P10636 1/20 0.36
EZH2 Q15910 1/20 0.35
TSHR P16473 2/20 0.35
ANO1 Q5XXA6 1/20 0.34
ANO2 Q9NQ90 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1030487 0.89 ROCK2 (0.43) PDE10AROCK2TP53MAPTTSHR
SCHEMBL1031069 0.84 PDE10A (0.43) PDE10AROCK2MTNR1BTP53MTNR1A
SCHEMBL4103013 0.76 GABRA2 (0.37) TP53MAPTNPC1MEN1KMT2A
SCHEMBL1028545 0.73 ROCK2 (0.48) PDE10AROCK2TP53MAPTTSHR
SCHEMBL1032279 0.72 PPARG (0.42) PDE10ATP53MAPTANO1ANO2
SCHEMBL1029462 0.71 ALDH1A1 (0.46) PDE10AMAPT
SCHEMBL1030186 0.69 GAA (0.46) ROCK2TP53TSHRNPC1MEN1
SCHEMBL1030127 0.69 KMT2A (0.39) MAPTRECQLNPC1MEN1KMT2A
SCHEMBL1031862 0.69 MAPT (0.41) TP53MAPTMEN1KMT2A
SCHEMBL1028564 0.67 ALDH1A1 (0.38) TP53MAPTMEN1KMT2A

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