SCHEMBL1031826

SCHEMBL1031826

Cc1cn(Cc2ccccc2)c(OC(=O)NCc2ccc(C(F)(F)F)c(F)c2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
P2RX7 Q99572 3/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KMT2A Q03164 1/20 0.37
GNRHR P30968 1/20 0.37
KLKB1 P03952 1/20 0.36
FAAH O00519 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
WDR5 P61964 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL1027523 0.84 PTGER4 (0.49) PTGER4P2RX7HCRTR1HCRTR2PPARG
SCHEMBL1030311 0.81 ALDH1A1 (0.47) KLKB1TP53
SCHEMBL1032400 0.79 F10 (0.40) PPARGKLKB1
SCHEMBL1032699 0.78 EPHX2 (0.42) P2RX7PPARGKMT2AKLKB1
SCHEMBL1032399 0.77 WDR5 (0.46) PPARGPPARDPPARAKMT2AWDR5
SCHEMBL4118046 0.73 HPGD (0.47) PPARGPPARATP53
SCHEMBL1031997 0.73 TAAR1 (0.45) KMT2ATP53
SCHEMBL1029462 0.73 ALDH1A1 (0.46)
SCHEMBL1030127 0.73 KMT2A (0.39) KMT2A
SCHEMBL1030010 0.72 MAPK14 (0.50) PPARGPPARDPPARAWDR5

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