SCHEMBL8488992

SCHEMBL8488992

CN1C2C=CC(c3cccnc3)C1CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
CHRNA7 P36544 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA2 Q15822 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
PSIP1 O75475 1/20 0.46
TRPA1 O75762 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
MAPT P10636 1/20 0.46
CHRNB1 P11230 1/20 0.46
CYP2A6 P11509 1/20 0.46
PTGS1 P23219 1/20 0.46
CHRNA5 P30532 1/20 0.46

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
SCHEMBL8488165 0.82 SLC6A2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL8489231 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL8076992 0.77 CHRNA7 (0.46) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL30116774 0.77 CHRNA7 (0.46) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL8488486 0.75 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL8484697 0.75 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL8487566 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CHRNA3
SCHEMBL8488006 0.74 SLC6A2 (0.44)
SCHEMBL8487483 0.73 MDM2 (0.39) TSHRTHPO
SCHEMBL8488675 0.73 SLC6A3 (0.41)

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