SCHEMBL8438489

SCHEMBL8438489

CN1CCC[C@@H]1COc1cccnc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.69
CHRNA3 P32297 4/20 0.69
CHRNB1 P11230 2/20 0.69
CHRNB2 P17787 2/20 0.69
CHRNA4 P43681 2/20 0.69
CHRNB3 Q05901 2/20 0.69
CHRNA1 P02708 1/20 0.56
CHRNA7 P36544 1/20 0.56

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
SCHEMBL7368969 0.82 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8437748 0.81 CHRNB4 (0.97) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8437647 0.79 CHRNB4 (0.97) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL8436708 0.75 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL30570936 0.75 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL7478061 0.75 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL12303969 0.74 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL29202352 0.74 RBP4 (0.52) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL9245008 0.74 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL9245004 0.74 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4

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