SCHEMBL6866436

SCHEMBL6866436

CN(C)c1nc(NC2CCC(NC(=S)NCCCCc3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
RAB9A P51151 1/20 0.45
EPHX1 P07099 1/20 0.41
MCHR1 Q99705 9/20 0.40
ADRA2A P08913 8/20 0.40
ACHE P22303 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
NPY5R Q15761 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
SCHEMBL6866433 1.00 KMT2A (0.51) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL7043217 0.97 KMT2A (0.54) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL7043216 0.97 KMT2A (0.54) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL6868863 0.94 KMT2A (0.56) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL6868868 0.94 KMT2A (0.56) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL7044566 0.88 BCHE (0.46) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL7044564 0.88 BCHE (0.46) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL6880458 0.86 KMT2A (0.46) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL6875361 0.86 MEN1 (0.45) KMT2AMEN1LMNAEPHX1MCHR1
SCHEMBL6875363 0.86 MEN1 (0.45) KMT2AMEN1LMNAEPHX1MCHR1

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed