SCHEMBL13536732

SCHEMBL13536732

CN(C)c1cc(Nc2ccc(N)c(Cl)c2)nc(N2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
USP2 O75604 3/20 0.44
MEN1 O00255 1/20 0.44
XBP1 P17861 1/20 0.44
KMT2A Q03164 1/20 0.44
NPY2R P49146 1/20 0.43
CASP1 P29466 1/20 0.43
CASP5 P51878 1/20 0.43
GAA P10253 1/20 0.43
ACHE P22303 2/20 0.41
HTR2C P28335 2/20 0.41
NPSR1 Q6W5P4 4/20 0.40
POLB P06746 2/20 0.40
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM1A O60341 1/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL6791357 0.91 SIGMAR1 (0.45) MAPTUSP2MEN1XBP1KMT2A
SCHEMBL6795876 0.90 MAPT (0.51) MAPTUSP2MEN1XBP1KMT2A
SCHEMBL8095257 0.87 ACHE (0.51) MAPTMEN1KMT2ACASP1CASP5
SCHEMBL3246483 0.86 NPY2R (0.41) MAPTUSP2MEN1XBP1KMT2A
SCHEMBL6789057 0.85 LMNA (0.51) MAPTCASP1CASP5GAAACHE
SCHEMBL6790642 0.85 LMNA (0.47) MAPTUSP2CASP1CASP5GAA
SCHEMBL6784851 0.85 CASP1 (0.46) MAPTCASP1CASP5GAAACHE
SCHEMBL6784463 0.84 HTR2C (0.56) MEN1KMT2ACASP1CASP5GAA
SCHEMBL6788475 0.83 CASP1 (0.45) MAPTCASP1CASP5GAAACHE
SCHEMBL13552258 0.83 HTR2C (0.46) MAPTCASP1CASP5GAAACHE

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-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed