SCHEMBL21900286

SCHEMBL21900286

CC(C)(C)C1CN(c2ccccc2-c2ccc3[nH]c(=O)[nH]c3c2)CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.36
MET P08581 1/20 0.35
GRIA1 P42261 5/20 0.35
DRD2 P14416 3/20 0.35
CACNG8 Q8WXS5 2/20 0.34
TACR3 P29371 2/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
HTR7 P34969 2/20 0.34
DRD1 P21728 1/20 0.34
CXCR3 P49682 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 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
SCHEMBL18190562 0.82 CXCR3 (0.43) GRIA1DRD2CACNG8TACR3HTR7
SCHEMBL18202983 0.76 SMARCA2 (0.48) DRD2
SCHEMBL23536457 0.74 GFER (0.34) SLC6A7DRD2HTR7MEN1KMT2A
SCHEMBL2760636 0.72 DRD2 (0.51) DRD2MEN1KMT2APOLBHTR1A
SCHEMBL17491559 0.72 ADRA2C (0.45) SLC6A7MEN1KMT2APOLBMAPT
SCHEMBL30881604 0.72 ADRA2C (0.45) SLC6A7MEN1KMT2APOLBMAPT
SCHEMBL2327343 0.71 RBP4 (0.37) SLC6A7DRD2HTR7MEN1KMT2A
SCHEMBL5357553 0.71 MEN1 (0.35) MEN1KMT2APOLBMAPTHTR1A
SCHEMBL4558300 0.70 SLC6A9 (0.44) SLC6A7DRD2HTR7HTR1AHTR6
SCHEMBL29252729 0.70 AGTR2 (0.48) SLC6A7DRD2MEN1KMT2A

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-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 EP disclosed