SCHEMBL1032279

SCHEMBL1032279

COc1ccc(CNC(=O)Oc2c(-c3ccc(Cl)cc3)c(C)cn2Cc2ccccc2F)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
ANO2 Q9NQ90 1/20 0.40
PKM P14618 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL1031786 0.87 PPARG (0.47) PPARGALDH1A1TP53MAPTTAS1R3
SCHEMBL1030127 0.83 KMT2A (0.39) ALDH1A1MAPTRAB9AHPGDGAA
SCHEMBL4103785 0.78 MAPT (0.45) PPARGALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL1032701 0.77 ALDH1A1 (0.44) ALDH1A1TP53MAPTTAS1R3TAS1R1
SCHEMBL1032103 0.76 TAS1R3 (0.43) PPARGALDH1A1TP53TAS1R3TAS1R1
SCHEMBL1030487 0.75 ROCK2 (0.43) TP53MAPTPDE10AANO1ANO2
SCHEMBL1028249 0.72 PDE10A (0.38) TP53MAPTPDE10AANO1ANO2
SCHEMBL1030311 0.72 ALDH1A1 (0.47) ALDH1A1TP53MAPTSMN1; SMN2RAB9A
SCHEMBL1030941 0.69 TP53 (0.48) ALDH1A1TP53MAPTSMN1; SMN2MAPK1
SCHEMBL2637921 0.69 MAPT (0.48) PPARGALDH1A1MAPTMAPK1RAB9A

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-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-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