SCHEMBL7104063

SCHEMBL7104063

c1ncc(OCC2CCNC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 1/20 0.54
ROCK2 O75116 3/20 0.52
ROCK1 Q13464 3/20 0.52
CDC42BPB Q9Y5S2 3/20 0.52
CDC42BPA Q5VT25 1/20 0.52
PRKCZ Q05513 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM1A O60341 3/20 0.44
KCNH2 Q12809 2/20 0.44
RCOR1 Q9UKL0 1/20 0.44
CHRNA3 P32297 1/20 0.43

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
SCHEMBL7457181 0.80 KDM1A (0.53) SLC6A2SLC6A4SLC6A3PRKCZCHRNB2
SCHEMBL7468564 0.80 KDM1A (0.53) SLC6A2SLC6A4SLC6A3PRKCZCHRNB2
SCHEMBL7466333 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3PRKCZCHRNB2
SCHEMBL7459666 0.76 CHRNB2 (0.67) SLC6A2SLC6A4SLC6A3PRKCZCHRNB2
SCHEMBL35429 0.76 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CHRM3TDP1
SCHEMBL27972144 0.76 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CHRM3TDP1
SCHEMBL7463964 0.75 CHRNB2 (0.62) SLC6A2SLC6A4SLC6A3PRKCZCHRNB2
SCHEMBL21603155 0.74 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3PRKCZCHRNB2
SCHEMBL21604566 0.74 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3PRKCZCHRNB2
SCHEMBL20281548 0.74 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3PRKCZCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500393-A 2003-01-07 JP claimed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP claimed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO claimed