SCHEMBL28585656

SCHEMBL28585656

CC(CCC(N)N)Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.66
CHRM2 P08172 2/20 0.66
CHRM4 P08173 2/20 0.66
CHRM5 P08912 2/20 0.66
ADRA2A P08913 2/20 0.66
CHRM1 P11229 2/20 0.66
ADRA2B P18089 2/20 0.66
ADRA2C P18825 2/20 0.66
CHRM3 P20309 2/20 0.66
KCNH2 Q12809 2/20 0.66
TMEM97 Q5BJF2 2/20 0.66
SIGMAR1 Q99720 2/20 0.66
ACE2 Q9BYF1 2/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
PRNP P04156 1/20 0.66
APP P05067 1/20 0.66
NQO2 P16083 1/20 0.66
MTOR P42345 1/20 0.66

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
SCHEMBL27896415 0.87 NR4A2 (0.72) NR4A2CHRM2CHRM4CHRM5ADRA2A
Bidesethyl Chloroquine SCHEMBL17706108 0.86 CHRM2 (0.71) NR4A2CHRM2CHRM4CHRM5ADRA2A
Bidesethyl Chloroquine SCHEMBL29625380 0.86 CHRM2 (0.71) NR4A2CHRM2CHRM4CHRM5ADRA2A
Bidesethyl Chloroquine SCHEMBL6659403 0.86 CHRM2 (0.71) NR4A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL24686036 0.86 CHRM2 (0.74) NR4A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL16702725 0.86 NR4A2 (0.67) NR4A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7835332 0.85 NR4A2 (0.70) NR4A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL12967486 0.85 CHRM2 (0.77) NR4A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL17704778 0.85 CHRM2 (0.77) NR4A2CHRM2CHRM4CHRM5ADRA2A
Hydrochloric Acid SCHEMBL7835555 0.84 NR4A2 (0.68) NR4A2CHRM2CHRM4CHRM5ADRA2A

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
CN-109640993-B Pharmaceutical composition for preventing or treating diabetes comprising amodiaquine and antidiabetic agent as active ingredients 诺麦塔制药有限公司 2021-07-09 CN disclosed