SCHEMBL8508969

SCHEMBL8508969

C=C(OCC)c1cncc(OC(C)[C@@H]2CCCN2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL8507375 0.81 CHRNB4 (0.36) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL8551354 0.80 CHRNB2 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8550383 0.76 GPR119 (0.37) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4962971 0.75 CHRNB2 (0.49) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL6233084 0.75 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7411409 0.75 CHRNB4 (0.36) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL7406929 0.75 CHRNB4 (0.36) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL7668971 0.75 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8507102 0.75 AKT1 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8508973 0.74 AKT1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934308-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1999-08-11 EP disclosed
WO-1997046554-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-12-11 WO disclosed