SCHEMBL7097964

SCHEMBL7097964

CC(Oc1cncnc1)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
PDCD1LG2 Q9BQ51 2/20 0.32
CD274 Q9NZQ7 2/20 0.32

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
Hydrochloric Acid SCHEMBL7595472 0.98 CHRNB4 (0.35) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL8506591 0.88 CHRNB2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6233084 0.81 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7668971 0.81 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7411409 0.81 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL4962971 0.81 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL7406929 0.81 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL8550383 0.79 GPR119 (0.37) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6698315 0.79 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL8507102 0.78 AKT1 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4

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