SCHEMBL8440182

SCHEMBL8440182

COC1CNC(COc2cccnc2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.60
CHRNA4 P43681 10/20 0.60
CHRNA3 P32297 6/20 0.60
CHRNB4 P30926 5/20 0.60
CHRNA7 P36544 3/20 0.60
CHRNA1 P02708 2/20 0.60
CHRNB1 P11230 2/20 0.60
CHRNG P07510 1/20 0.60
CHRND Q07001 1/20 0.60
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.54
CHRNB3 Q05901 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
SCHEMBL8438394 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL8438396 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL8438229 0.99 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL8438226 0.99 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL8438230 0.99 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL7411691 0.82 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL8439886 0.81 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL8439888 0.81 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL8439884 0.81 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL7573360 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US claimed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed