SCHEMBL1031870

SCHEMBL1031870

CCCCNC(=O)Oc1c(-c2ccc(C)cc2)c(C)cn1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
MCHR1 Q99705 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MGLL Q99685 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 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
SCHEMBL1032474 0.84 NPC1 (0.44) KMT2AHPGDNPC1MCHR1HRH3
SCHEMBL4102629 0.82 LMNA (0.44) KMT2ANPC1MCHR1HRH3RAB9A
SCHEMBL1031997 0.80 TAAR1 (0.45) KMT2AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1030436 0.75 S1PR1 (0.41) HPGD
SCHEMBL4109233 0.74 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2MEN1
SCHEMBL2638193 0.74 NPC1 (0.46) KMT2ANPC1MCHR1HRH3RAB9A
SCHEMBL3988267 0.73 NPC1 (0.45) KMT2AHPGDNPC1MCHR1HRH3
SCHEMBL1030311 0.72 ALDH1A1 (0.47) HPGDRAB9ASMN1; SMN2
SCHEMBL4106837 0.71 HPGD (0.47) KMT2AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL25278122 0.71 MGLL (0.68) HPGDMGLL

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