SCHEMBL6867794

SCHEMBL6867794

CN(C)c1ccnc(NC2CCC(NC(=S)NCc3ccccc3Cl)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCHR1 Q99705 3/20 0.39
ADRA2A P08913 2/20 0.39
HRH1 P35367 2/20 0.39
HTR2B P41595 2/20 0.39
MAPKAPK2 P49137 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
SCHEMBL6867785 1.00 ACHE (0.46) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL6872390 0.89 ACHE (0.46) ACHEBACE1MAPK1EPHX2MCHR1
SCHEMBL6867769 0.88 MEN1 (0.41) ACHEMEN1KMT2ALMNAALDH1A1
SCHEMBL6867777 0.88 MEN1 (0.41) ACHEMEN1KMT2ALMNAALDH1A1
SCHEMBL6875118 0.83 ALOX12 (0.57) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL6875109 0.83 ALOX12 (0.57) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL6878118 0.83 MEN1 (0.49) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL6878132 0.83 MEN1 (0.49) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL6879418 0.82 MCHR1 (0.46) ACHEBACE1MEN1KMT2AMAPK1
SCHEMBL6879424 0.82 MCHR1 (0.46) ACHEBACE1MEN1KMT2AMAPK1

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