SCHEMBL1670129

SCHEMBL1670129

Cc1cccc(-c2nc3ccc(N4CCN5CCCCCCCCCCCCCCCCCCCCCC4CC5)cc3c(=O)n2C2CCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
CHRNA7 P36544 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
GRM1 Q13255 1/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
KCNH2 Q12809 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL6888711 0.96 CHRNA7 (0.43) GAAALOX15CHRNA7MEN1KMT2A
SCHEMBL6888597 0.84 CHRNA7 (0.45) CHRNA7CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL6887263 0.83 CHRNA7 (0.43) GAAALOX15CHRNA7MEN1KMT2A
SCHEMBL6888190 0.82 CHRNA7 (0.47) GAAALOX15CHRNA7MEN1KMT2A
SCHEMBL1668992 0.81 ALDH1A1 (0.38) GAAALOX15CHRNA7MEN1KMT2A
SCHEMBL6888927 0.79 KDM4E (0.43) GAAALOX15CHRNA7MEN1KMT2A
SCHEMBL6888541 0.79 CHRNA7 (0.46) GAAALOX15CHRNA7CHRNA1CHRNB2
SCHEMBL6886841 0.79 CHRNA7 (0.45) GAAALOX15CHRNA7KMT2ACHRNA1
SCHEMBL1670209 0.79 ADRA1A (0.42) GAAALOX15CHRNA7MEN1KMT2A
SCHEMBL6889887 0.78 CHRNA7 (0.40) CHRNA7MEN1KMT2A

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