SCHEMBL1031862

SCHEMBL1031862

Cc1cn(CC(C)C)c(OC(=O)NCc2ccc(N(C)C)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL1032354 0.85 ALDH1A1 (0.44) MAPTTP53ALDH1A1KDM4EHTT
SCHEMBL1032400 0.81 F10 (0.40) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL1031423 0.79 CYP3A4 (0.40) MAPTTP53ALDH1A1HTT
SCHEMBL4108837 0.78 MAPT (0.36) MAPTTP53ALDH1A1LMNAMDM2
SCHEMBL1029337 0.70 SMN1; SMN2 (0.41) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL1028249 0.69 PDE10A (0.38) MAPTTP53MEN1KMT2A
SCHEMBL1030127 0.69 KMT2A (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1029462 0.67 ALDH1A1 (0.46) MAPTALDH1A1THRBLMNASMN1; SMN2
SCHEMBL1030487 0.66 ROCK2 (0.43) MAPTTP53MEN1KMT2ATHRB
SCHEMBL1033304 0.66 MGLL (0.59) MAPTALDH1A1KDM4EMEN1KMT2A

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
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