SCHEMBL28896405

SCHEMBL28896405

O=C(NC1CCCCC1)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.60
CNR2 P34972 2/20 0.58
ATF4 P18848 1/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HTR7 P34969 1/20 0.49
SCN7A Q01118 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL21050164 0.88 ATF4 (0.52) CNR1CNR2ATF4NPC1RAB9A
SCHEMBL24225650 0.87 SMYD3 (0.57) CNR1CNR2ATF4HTR7SCN9A
SCHEMBL21390326 0.87 SCN9A (0.55) CNR1CNR2ATF4NPC1RAB9A
Hydrochloric Acid SCHEMBL21384495 0.86 SCN9A (0.54) CNR1CNR2ATF4NPC1RAB9A
SCHEMBL24997368 0.86 ATF4 (0.50) CNR1CNR2ATF4NPC1RAB9A
SCHEMBL21819546 0.85 ATF4 (0.56) CNR1CNR2ATF4HTR7SCN7A
SCHEMBL23920238 0.84 ATF4 (0.51) CNR1CNR2ATF4NPC1RAB9A
SCHEMBL21384267 0.84 ATF4 (0.55) CNR1CNR2ATF4L3MBTL1HTR7
SCHEMBL21819494 0.83 ATF4 (0.54) CNR1CNR2ATF4HTR7SCN7A
SCHEMBL24997387 0.82 CASP3 (0.47) CNR1CNR2ATF4NPC1RAB9A

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-110156683-B Synthesis method of quinoline oxide 青岛农业大学 2020-06-26 CN disclosed