SCHEMBL17004237

SCHEMBL17004237

Fc1ccc(-c2nnc(OC3C4CC5CC3CN(C5)C4)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.39
CHRNB4 P30926 5/20 0.39
CHRNA3 P32297 5/20 0.39
CHRNA7 P36544 5/20 0.39
CHRNA4 P43681 5/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GHSR Q92847 1/20 0.30
TSHR P16473 2/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL3833132 0.88 MGAM (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17004223 0.87 KDM4E (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-126 SCHEMBL878680 0.87 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-126 SCHEMBL16782423 0.87 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-126 SCHEMBL16033886 0.87 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-126 SCHEMBL12695541 0.87 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17004204 0.81 HRH3 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17004224 0.80 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17004255 0.80 MGAM (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17004231 0.80 CHRNA7 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed