SCHEMBL5219149

SCHEMBL5219149

Clc1ccc(C23CCCN(CC2)C3)cn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
POLB P06746 1/20 0.35

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
SCHEMBL2678092 0.97 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL2678739 0.94 CHRNB4 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL12934786 0.81 VNN1 (0.33)
SCHEMBL1482859 0.81 CHRNB2 (0.36) CHRNB2CHRNA4
Bromide SCHEMBL1482837 0.80 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL12756183 0.78 ALOX5AP (0.34)
SCHEMBL2678755 0.78
SCHEMBL11929802 0.78 VNN1 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
Bromide SCHEMBL4469527 0.77 KDM1A (0.40)
SCHEMBL4463296 0.77 HSD11B1 (0.40) CHRNB2CHRNA4

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-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP disclosed