SCHEMBL6880764

SCHEMBL6880764

CN(C)c1nc(NC2CCC(NC(=S)Nc3ccc(Oc4ccccc4)nc3)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.38
MCHR1 Q99705 8/20 0.37
ADRA2A P08913 7/20 0.37
GPR65 Q8IYL9 1/20 0.37
HRH1 P35367 4/20 0.36
HTR2B P41595 4/20 0.36
ADRA1A P35348 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL6880759 1.00 ALOX12 (0.43) ALOX12MAPTSMN1; SMN2LMNAHTT
SCHEMBL6876262 0.90 SMN1; SMN2 (0.55) ALOX12MAPTSMN1; SMN2LMNAHTT
SCHEMBL6878625 0.85 SMN1; SMN2 (0.45) ALOX12MAPTSMN1; SMN2LMNAHTT
SCHEMBL6878621 0.85 SMN1; SMN2 (0.45) ALOX12MAPTSMN1; SMN2LMNAHTT
SCHEMBL6869110 0.83 ADRA2A (0.38) ALOX12SMN1; SMN2LMNAMCHR1ADRA2A
SCHEMBL6869114 0.83 ADRA2A (0.38) ALOX12SMN1; SMN2LMNAMCHR1ADRA2A
SCHEMBL6868701 0.82 LMNA (0.45) ALOX12MAPTSMN1; SMN2LMNAHTT
SCHEMBL6868693 0.82 LMNA (0.45) ALOX12MAPTSMN1; SMN2LMNAHTT
SCHEMBL6868226 0.82 BCHE (0.46) ALOX12MAPTSMN1; SMN2LMNAHTT
SCHEMBL6868231 0.82 BCHE (0.46) ALOX12MAPTSMN1; SMN2LMNAHTT

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