SCHEMBL9767845

SCHEMBL9767845

CC[N+](CC)(c1ccnc2cc(Cl)ccc12)C(C)CCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 4/20 0.47
NR4A2 P43354 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
ADRA2A P08913 2/20 0.43
CHRM1 P11229 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
CHRM3 P20309 2/20 0.43
KCNH2 Q12809 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
PRNP P04156 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APP P05067 1/20 0.43
NQO2 P16083 1/20 0.43

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
SCHEMBL15364304 0.75 NR4A2 (0.48) FERMT2NR4A2CHRM2CHRM4CHRM5
Bidesethyl Chloroquine SCHEMBL6659403 0.72 CHRM2 (0.71) FERMT2NR4A2CHRM2CHRM4CHRM5
Bidesethyl Chloroquine SCHEMBL29625380 0.72 CHRM2 (0.71) FERMT2NR4A2CHRM2CHRM4CHRM5
Bidesethyl Chloroquine SCHEMBL17706108 0.72 CHRM2 (0.71) FERMT2NR4A2CHRM2CHRM4CHRM5
SCHEMBL902310 0.72 FERMT2 (0.56) FERMT2NR4A2CHRM2CHRM4CHRM5
SCHEMBL9542816 0.71 FERMT2 (0.49) FERMT2NR4A2CHRM2CHRM4CHRM5
SCHEMBL6661655 0.70 FERMT2 (0.53) FERMT2NR4A2CHRM2CHRM4CHRM5
SCHEMBL7896777 0.69 NR4A2 (0.47) FERMT2NR4A2CYP2D6SOS2CYP1A2
SCHEMBL4367045 0.69 FERMT2 (0.56) FERMT2NR4A2CHRM2CHRM4CHRM5
SCHEMBL4374931 0.67 FERMT2 (0.52) FERMT2NR4A2CHRM2CHRM4CHRM5

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-1991011183-A1 INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS -1 INFECTIVITY IN HUMAN CELLS US COMMERCE (US) 1991-08-08 WO disclosed