SCHEMBL4013758

SCHEMBL4013758

COc1c(C)cc(-c2cncc(N3CC4CNC(C4)C3)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.50
CHRNA4 P43681 6/20 0.50
CHRNB4 P30926 7/20 0.47
CHRNA3 P32297 7/20 0.47

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
SCHEMBL4008613 0.86 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4011579 0.85 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4006222 0.83 CHRNB4 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4012353 0.81 CHRNB4 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4006623 0.81 CHRNB4 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4008516 0.81 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4011486 0.81 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4009092 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4299149 0.80 CHRNB4 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4012240 0.80 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3

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 1 patent. 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