SCHEMBL1031997

SCHEMBL1031997

Cc1ccc(Cn2cc(C)c(-c3ccc(C)cc3)c2OC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 6/20 0.44
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL4106837 0.83 HPGD (0.47) NPC1RAB9ATP53POLBMEN1
SCHEMBL1033446 0.82 NPC1 (0.53) TAAR1NPC1RAB9APLAAT3PLAAT5
SCHEMBL1030436 0.81 S1PR1 (0.41) TP53MAPTHPGD
SCHEMBL1031870 0.80 KMT2A (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1033304 0.79 MGLL (0.59) NPC1RAB9AGAAPOLBMEN1
SCHEMBL1032400 0.78 F10 (0.40) NPC1RAB9AGAAEPHX2MAPT
SCHEMBL4118046 0.77 HPGD (0.47) TP53SMN1; SMN2HPGD
SCHEMBL1029462 0.77 ALDH1A1 (0.46) GAAEPHX2POLBMAPTSMN1; SMN2
SCHEMBL4116626 0.76 CNR1 (0.42) TP53POLBMEN1KMT2AMAPT
SCHEMBL4101077 0.76 S1PR1 (0.37) TP53MEN1KMT2AMAPTHPGD

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