SCHEMBL17004239

SCHEMBL17004239

c1cc2cc(-c3ccc(OC4C5CC6CC4CN(C6)C5)nc3)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.47
KCNH2 Q12809 4/20 0.47
KDM1A O60341 1/20 0.39
DYRK1A Q13627 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CA12 O43570 5/20 0.34
ENPP1 P22413 1/20 0.34
CA2 P00918 5/20 0.33
WNT1 P04628 1/20 0.33
PIK3CD O00329 1/20 0.33
FGFR1 P11362 1/20 0.32

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
SCHEMBL17004229 0.84 CHRNA7 (0.48) CHRNA7KCNH2KDM1ADYRK1ACHRNB2
SCHEMBL17004292 0.79 MAOB (0.33) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL17004212 0.79 CHRNA7 (0.56) CHRNA7KCNH2DYRK1ACHRNB2CHRNB4
SCHEMBL17004265 0.78 FAAH (0.40) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL17004202 0.78 CHRNA7 (0.38) CHRNA7KCNH2KDM1ADYRK1ACHRNB2
SCHEMBL17004220 0.77 CHRNB2 (0.36) CHRNA7DYRK1ACHRNB2CHRNB4CHRNA3
SCHEMBL17004293 0.77 CHRNB2 (0.34) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3622692 0.76 CHRNA7 (0.44) CHRNA7KCNH2KDM1ADYRK1ACHRNB2
SCHEMBL3622695 0.76 CHRNA7 (0.44) CHRNA7KCNH2KDM1ADYRK1ACHRNB2
SCHEMBL17004269 0.75 CHRNB2 (0.35) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3

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