SCHEMBL6869133

SCHEMBL6869133

CN(C)c1nc(NC2CCC(NC(=S)Nc3ccccc3I)CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 5/20 0.38
ADRA2A P08913 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL6869128 1.00 LMNA (0.39) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6866523 0.90 GAA (0.45) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6866519 0.90 GAA (0.45) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6872712 0.89 ALDH1A1 (0.52) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6872717 0.89 ALDH1A1 (0.52) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6868723 0.89 MCHR1 (0.40) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6877748 0.89 MCHR1 (0.46) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6877751 0.89 MCHR1 (0.46) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6868714 0.89 MCHR1 (0.40) LMNAGAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL6876848 0.89 MCHR1 (0.42) ALDH1A1SMN1; SMN2HTTKDM4EMEN1

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