SCHEMBL4007628

SCHEMBL4007628

c1ccc(Oc2ccccc2-c2cncc(N3CC4CNC(C4)C3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.51
CHRNA3 P32297 6/20 0.51
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51

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
SCHEMBL4011486 0.88 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4008526 0.85 CHRNB2 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4299154 0.85 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4009219 0.84 CHRNB2 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4012345 0.84 CHRNB2 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4003627 0.83 CHRNB4 (0.73) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4007434 0.83 CHRNB4 (0.73) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4007296 0.82 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4013037 0.82 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4005927 0.81 CHRNB2 (0.53) 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
WO-2009081246-A2 BICYCLIC DIAMINES AS NICOTINIC RECEPTOR AGONISTS PFIZER INC. (US) 2009-07-02 WO claimed
WO-2009081246-A2 BICYCLIC DIAMINES AS NICOTINIC RECEPTOR AGONISTS PFIZER INC. (US) 2009-07-02 WO disclosed