SCHEMBL1670209

SCHEMBL1670209

Cc1cccc(-c2nc3ccc(N4CCN5CCCCCCCCCCCCCCCCCCCCCC4CC5)cc3c(=O)n2C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.42
KCNH2 Q12809 6/20 0.42
HRH3 Q9Y5N1 6/20 0.42
CHRNA7 P36544 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ACP1 P24666 1/20 0.37
PARG Q86W56 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
SCHEMBL6888683 0.94 CHRNA7 (0.46) ADRA1AKCNH2HRH3CHRNA7KMT2A
SCHEMBL1668780 0.90 HRH3 (0.39) ADRA1AKCNH2HRH3CHRNA7ALDH1A1
SCHEMBL6887461 0.88 CHRNA7 (0.48) ADRA1AKCNH2HRH3CHRNA7PARG
SCHEMBL6887469 0.86 CHRNA7 (0.43) ADRA1AKCNH2HRH3CHRNA7ALDH1A1
SCHEMBL6888094 0.86 KDM4E (0.44) ADRA1AKCNH2HRH3CHRNA7KMT2A
SCHEMBL6887435 0.86 CHRNA7 (0.43) ADRA1AKCNH2HRH3CHRNA7KMT2A
SCHEMBL6887263 0.86 CHRNA7 (0.43) KCNH2CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL6886841 0.84 CHRNA7 (0.45) KCNH2CHRNA7KMT2AALDH1A1MAPT
SCHEMBL11905048 0.84 CHRNA7 (0.41) ADRA1AKCNH2HRH3CHRNA7KMT2A
SCHEMBL6887525 0.83 CHRNA7 (0.42) ADRA1AKCNH2HRH3CHRNA7PARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MSD Oss B.V. (NL) 2012-08-22 EP disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed