SCHEMBL16613439

SCHEMBL16613439

CC1(C)C=c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc(-c3cccc(-c4cccc5ccccc45)c3)c2=C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32

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
SCHEMBL16613479 0.92 ENPP3 (0.32)
SCHEMBL16613356 0.92 TUBB4A (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16613504 0.91 TUBB4A (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16613478 0.90 TUBB4A (0.30)
SCHEMBL16613417 0.89
SCHEMBL16613415 0.89
SCHEMBL16613440 0.88
SCHEMBL16613408 0.87
SCHEMBL16613416 0.87
SCHEMBL16613337 0.84 ENPP3 (0.35) CHRNB4CHRNA3

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed