SCHEMBL8330596

SCHEMBL8330596

CCc1ccc2c(c1)N(C(=N)Nc1cccc3ccccc13)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TAOK1 Q7L7X3 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
Hydrochloric Acid SCHEMBL6929672 0.81 CHRM2 (0.58) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL8336470 0.79 KDM4E (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
Hydrochloric Acid SCHEMBL6768593 0.78 KDM4E (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL6768941 0.75 SIGMAR1 (0.55) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL6768523 0.71 KDM4E (0.50) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL6768498 0.71 SIGMAR1 (0.55) GAAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL18616798 0.71 ALDH1A1 (0.55) GAAALDH1A1MAPTALOX15TSHR
SCHEMBL8307770 0.70 KDM4E (0.49) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL8335230 0.69 NOTUM (0.48) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL8336952 0.69 GAA (0.45) GAAALDH1A1MAPTSMN1; SMN2KDM4E

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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed