SCHEMBL2090433

SCHEMBL2090433

COc1ccc(-c2n[nH]c(NC(=O)CCCCN3CCCCC3)c2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 4/20 0.72
KCNH2 Q12809 3/20 0.67
CHRNA7 P36544 1/20 0.63

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
SCHEMBL2055604 1.00 CHRNA3 (0.72) CHRNA3KCNH2CHRNA7
SCHEMBL2055766 0.97 CHRNA3 (0.71) CHRNA3KCNH2CHRNA7
SCHEMBL2055770 0.96 CHRNA3 (0.69) CHRNA3KCNH2CHRNA7
SCHEMBL2055603 0.92 KCNH2 (0.75) CHRNA3KCNH2CHRNA7
SCHEMBL2089449 0.83 CHRNA3 (1.00) CHRNA3KCNH2CHRNA7
SCHEMBL2055768 0.83 CHRNA3 (0.52) CHRNA3KCNH2CHRNA7
SCHEMBL2055772 0.82 KCNH2 (0.51) CHRNA3KCNH2CHRNA7
SCHEMBL2055594 0.80 CHRNA3 (0.70) CHRNA3KCNH2CHRNA7
SCHEMBL2055629 0.79 CHRNA3 (0.69) CHRNA3KCNH2CHRNA7
SCHEMBL14006229 0.78 MAPT (0.83) CHRNA3

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
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed