SCHEMBL9728818

SCHEMBL9728818

CCCCN(CCCC)Cc1cc(N)n(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
STAT3 P40763 2/20 0.44
GAA P10253 2/20 0.44
GALR3 O60755 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BCHE P06276 2/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
DRD2 P14416 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL329300 0.71 MAPT (0.66) MAPTMEN1KMT2ABCHEDRD2
SCHEMBL1374365 0.70 POLB (0.73) SMN1; SMN2MAPTMEN1KMT2ASTAT3
Hydrochloric Acid SCHEMBL693073 0.69 MAPT (0.63) MAPTMEN1KMT2ABCHEDRD2
SCHEMBL9768710 0.69 MAPT (0.63) MAPTMEN1KMT2ABCHEDRD2
Bromide SCHEMBL11611692 0.69 MAPT (0.63) MAPTMEN1KMT2ABCHEDRD2
Water SCHEMBL28273899 0.69 MAPT (0.63) MAPTMEN1KMT2ABCHEDRD2
SCHEMBL28789751 0.69 SLC2A1 (0.51) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL9485158 0.68 MAPT (0.61) MAPTMEN1KMT2ABCHEDRD2
SCHEMBL172516 0.68 MAPT (0.60) MAPTMEN1KMT2ABCHEDRD2
SCHEMBL13532663 0.67 MAPT (0.61) MAPTMEN1KMT2ABCHEDRD2

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
US-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed