SCHEMBL1028264

SCHEMBL1028264

Cc1cn(Cc2ccccc2)c(C(=O)NCCN2CCCC2)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.47
EEF2K O00418 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
SMYD2 Q9NRG4 1/20 0.44
APP P05067 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL1031916 0.95 NPSR1 (0.51) CACNA1GEEF2KNPSR1
SCHEMBL1031140 0.85 NPSR1 (0.49) CACNA1GNPSR1MEN1KMT2A
SCHEMBL1031841 0.81 NPSR1 (0.47) CACNA1GNPSR1MEN1KMT2A
SCHEMBL1033446 0.78 NPC1 (0.53) MEN1KMT2A
SCHEMBL1081685 0.77 NPSR1 (0.60) CACNA1GNPSR1MEN1KMT2A
SCHEMBL1031909 0.76 NPC1 (0.47) NPSR1MEN1KMT2AFAAHACHE
SCHEMBL2638817 0.76 NOTUM (0.48)
SCHEMBL1032145 0.76 EPHX2 (0.45) NPSR1
SCHEMBL1031907 0.75 HTT (0.55) KMT2A
SCHEMBL1031517 0.74 KDM4E (0.46)

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 1 patent. 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