SCHEMBL8489231

SCHEMBL8489231

CN1C2C=CC(c3cncnc3)C1CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNA1 P02708 3/20 0.31
CHRNB4 P30926 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRND Q07001 1/20 0.31
CHRNA2 Q15822 1/20 0.31

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
SCHEMBL8484697 0.80 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA1CHRNB4CHRNA3
SCHEMBL8488006 0.76 SLC6A2 (0.44)
SCHEMBL8487415 0.75 SLC6A3 (0.43)
SCHEMBL8488675 0.75 SLC6A3 (0.41)
SCHEMBL8489089 0.70 HTR2C (0.41)
SCHEMBL8487483 0.69 MDM2 (0.39)
SCHEMBL8525323 0.66 TRIM24 (0.40)
SCHEMBL8485877 0.66 HTR2C (0.38)
SCHEMBL8485131 0.64 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL8488624 0.64 NPC1 (0.34)

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-1999038865-A1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES AS PESTICIDES ZENECA LIMITED (GB) 1999-08-05 WO disclosed