SCHEMBL7044564

SCHEMBL7044564

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)NCc3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
MCHR1 Q99705 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
ADRA2A P08913 2/20 0.42
ALPL P05186 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PLA2G1B P04054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HTT P42858 1/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7044566 1.00 BCHE (0.46) BCHEACHEMCHR1SMN1; SMN2LMNA
SCHEMBL6868667 0.92 ALPL (0.52) MCHR1SMN1; SMN2LMNAPKMADRA2A
SCHEMBL6868673 0.92 ALPL (0.52) MCHR1SMN1; SMN2LMNAPKMADRA2A
SCHEMBL6868980 0.91 LMNA (0.55) MCHR1LMNAPKMADRA2AALPL
SCHEMBL6875979 0.91 LMNA (0.54) MCHR1SMN1; SMN2LMNAPKMADRA2A
SCHEMBL6875974 0.91 LMNA (0.54) MCHR1SMN1; SMN2LMNAPKMADRA2A
SCHEMBL6868978 0.91 LMNA (0.55) MCHR1LMNAPKMADRA2AALPL
SCHEMBL6868868 0.91 KMT2A (0.56) ACHEMCHR1SMN1; SMN2LMNAADRA2A
SCHEMBL6868863 0.91 KMT2A (0.56) ACHEMCHR1SMN1; SMN2LMNAADRA2A
SCHEMBL6879414 0.90 MCHR1 (0.46) MCHR1SMN1; SMN2LMNAPKMADRA2A

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